SCHEMBL13645595

SCHEMBL13645595

CC(=S)NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
GAA P10253 2/20 0.65
KDM4E B2RXH2 2/20 0.65
EPHX1 P07099 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALOX12 P18054 2/20 0.56
HPGD P15428 1/20 0.56
CCR6 P51684 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MITF O75030 1/20 0.53
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52

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
SCHEMBL863064 0.82 ALDH1A1 (0.63) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL6966315 0.82 ALDH1A1 (0.69) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL19100020 0.82 ALDH1A1 (0.58) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
Acetic Acid SCHEMBL28664924 0.82 ALDH1A1 (0.89) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL76489 0.81 ALDH1A1 (0.67) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL6966313 0.80 ALDH1A1 (0.67) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL3077377 0.80 ALDH1A1 (0.67) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL24747452 0.79 ALDH1A1 (0.60) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL2680169 0.79 ALDH1A1 (0.66) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2
SCHEMBL16587384 0.79 ALDH1A1 (0.56) ALDH1A1GAAKDM4EEPHX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-20160272654-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF IMAGO PHARMACEUTICALS, INC. (US) 2016-09-22 US disclosed
US-20160272654-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF IMAGO PHARMACEUTICALS, INC. (US) 2016-09-22 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-20150307518-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF ELAN PHARMACEUTICALS, INC. 2015-10-29 US disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 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 (6 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 ALDH1A1 918/4885GAA 1865/4885KDM4E 1754/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 ALDH1A1 918/4885GAA 1865/4885KDM4E 1754/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 ALDH1A1 918/4885GAA 1865/4885KDM4E 1754/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 848/4885GAA 2907/4885KDM4E 4597/4885
US-20160272654-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP ALDH1A1 66/4885GAA 78/4885KDM4E 4344/4885
US-20150307518-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP ALDH1A1 66/4885GAA 78/4885KDM4E 4344/4885

“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.