SCHEMBL10258693

SCHEMBL10258693

CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPK1 P28482 1/20 0.51
PARG Q86W56 1/20 0.51
HPGD P15428 2/20 0.49
LMNA P02545 6/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.47
PKM P14618 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ADRB2 P07550 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18703113 0.87 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL1793826 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL1793827 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL14316697 0.84 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL21925675 0.82 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL13508566 0.81 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2PARGLMNA
SCHEMBL14676327 0.81 PLG (0.45) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL12646339 0.81 GHSR (0.44) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL2408403 0.80 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL4781214 0.80 CA1 (0.61) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167149-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-18 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
US-7906646-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-03-15 US disclosed
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-11-04 US disclosed
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-09-02 US disclosed
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-05-13 US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885MAPT 1808/4885SMN1; SMN2 1563/4885
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC ALDH1A1 2097/4885MAPT 1410/4885SMN1; SMN2 3179/4885
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL17, RPL26, RPL35 ALDH1A1 3640/4885MAPT 298/4885SMN1; SMN2 2270/4885
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885MAPT 3610/4885SMN1; SMN2 2336/4885
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 ALDH1A1 1614/4885MAPT 2574/4885SMN1; SMN2 1198/4885
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885MAPT 3610/4885SMN1; SMN2 2336/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A ALDH1A1 1162/4885MAPT 2363/4885SMN1; SMN2 1021/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885MAPT 3610/4885SMN1; SMN2 2336/4885
US-20230167149-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, ASGR1 ALDH1A1 522/4885MAPT 4645/4885SMN1; SMN2 4758/4885
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885MAPT 3610/4885SMN1; SMN2 2336/4885
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885MAPT 3610/4885SMN1; SMN2 2336/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885MAPT 1808/4885SMN1; SMN2 1563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.