SCHEMBL208702

SCHEMBL208702

Cc1ccc(C(=O)S(=O)(=O)CCO[C]=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 6/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GSK3B P49841 1/20 0.36
HSD11B1 P28845 1/20 0.36
PAX8 Q06710 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL208703 0.79 KMT2A (0.39) ALDH1A1LMNACES2CES1TDP1
SCHEMBL777046 0.74 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1TDP1
SCHEMBL64436 0.73 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AGAASMN1; SMN2
SCHEMBL22022744 0.71 LMNA (0.47) ALDH1A1LMNACES2CES1TDP1
SCHEMBL29255431 0.71 ALDH1A1 (0.46) ALDH1A1LMNATDP1KMT2AGAA
SCHEMBL28166558 0.71 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AGAASMN1; SMN2
SCHEMBL11450666 0.69 NPC1 (0.53) ALDH1A1LMNACES2CES1TDP1
SCHEMBL9312379 0.68 ALDH1A1 (0.43) ALDH1A1LMNACES2CES1TDP1
SCHEMBL180685 0.67 ALDH1A1 (0.56) ALDH1A1LMNACES2CES1TDP1
SCHEMBL3626577 0.67 ALDH1A1 (0.42) ALDH1A1LMNACES2CES1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 CN disclosed
CN-107162928-B Halogenated analogs of anti-fibrotic agents 塞尔塔医疗有限公司 2022-03-11 CN disclosed
US-10814013-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-27 US disclosed
US-9265739-B2 Methods and use of compounds that bind to HER2/neu receptor complex THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-23 US disclosed
US-9012603-B2 Peptides that block the binding of IgG to FcRn BIOGEN IDEC HEMOPHILIA INC. (US) 2015-04-21 US disclosed
US-8993634-B2 Methods and use of compounds that bind to Her2/neu receptor complex THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-03-31 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-8703980-B2 Process for the preparation of darunavir TIANISH LABORATORIES PRIVATE LIMITED (IN) 2014-04-22 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2008-05-22 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-20080058336-A1 Methods to Treat Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 US disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US disclosed
US-20070225374-A1 Hydroxypropyl Amides for the Treatment of Alzheimer's Disease ELAN PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
CN-1207101-A Novel tricyclic compounds for the inhibition of the ice/ced-3 protease family of enzymes IDUM PHARMACEUTICALS INC (US) 1999-02-03 CN 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 (11 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME ALDH1A1 2044/4885LMNA 384/4885CES2 202/4885
US-10814013-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications TNNI3, CAD, TNNT2 ALDH1A1 2581/4885LMNA 2077/4885CES2 3340/4885
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn FCGRT, FCGR3B, FCGR1A ALDH1A1 4835/4885LMNA 4348/4885CES2 4815/4885
US-20080058336-A1 Methods to Treat Alzheimer's Disease PSEN2, PSEN1, ACHE ALDH1A1 412/4885LMNA 1749/4885CES2 64/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 ALDH1A1 597/4885LMNA 507/4885CES2 373/4885
US-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 ALDH1A1 3963/4885LMNA 4503/4885CES2 1274/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 ALDH1A1 2785/4885LMNA 373/4885CES2 2669/4885
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCL, NME4 ALDH1A1 4432/4885LMNA 436/4885CES2 1351/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885LMNA 679/4885CES2 521/4885
US-20070225374-A1 Hydroxypropyl Amides for the Treatment of Alzheimer's Disease BACE1, APP, BACE2 ALDH1A1 800/4885LMNA 2005/4885CES2 707/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885LMNA 4011/4885CES2 681/4885

“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.