SCHEMBL876147

SCHEMBL876147

CC(C(N)=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CXCL8 P10145 1/20 0.46
MAPT P10636 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
HMGB1 P09429 1/20 0.42
CA6 P23280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL15234279 0.86 IRAK4 (0.50) ALDH1A1GAACXCL8MAPTKDM4E
SCHEMBL2517875 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL6687220 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL7038218 0.84 MAPT (0.50) ALDH1A1GAAKMT2ATDP1CXCL8
SCHEMBL9321170 0.83 CXCL8 (0.54) KMT2ATDP1CXCL8MAPTHPGD
SCHEMBL27618030 0.83 CXCL8 (0.45) ALDH1A1KMT2ACXCL8MAPTKDM4E
SCHEMBL21055951 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
Hydrazine SCHEMBL27571459 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL134091 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL254364 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15GAAKMT2ATDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338674-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2021-11-04 US disclosed
US-9326984-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2016-05-03 US disclosed
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHE LAB FARMACEUTICOS SA (BR) 2016-01-14 US disclosed
US-9169218-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2015-10-27 US disclosed
EP-2619187-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ LABORATÓRIOS FARMAC UTICOS S A (BR) 2015-03-04 EP disclosed
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHE LABORATORIOS FARMACEUTICOS S.A., ATC Trustees Abbot Building, 2nd FLoor, Road Town (BR) 2014-11-13 US disclosed
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHÉ INTERNATIONAL (BVI) LTD. (VG) 2014-10-09 US disclosed
US-8735578-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. (BR) 2014-05-27 US disclosed
EP-2619187-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS Aché Laboratórios Farmacêuticos S.A. (BR) 2013-07-31 EP disclosed
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ INTERNATIONAL (BVI) LTD. (VG) 2013-07-18 US disclosed
WO-2012037634-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. (BR) 2012-03-29 WO disclosed
US-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors COOKE NIGEL GRAHAM (US) 2002-07-11 US disclosed
WO-2001068586-A2 α4β1 AND α4β7 INTEGRIN INHIBITORS NOVARTIS AG (CH) 2001-09-20 WO 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-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors ITGB1, ITGB4, ITGB7 ALDH1A1 152/4885ALOX15 1984/4885GAA 2796/4885
US-20210338674-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C ALDH1A1 585/4885ALOX15 870/4885GAA 1085/4885
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C ALDH1A1 590/4885ALOX15 828/4885GAA 1101/4885
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR1A ALDH1A1 430/4885ALOX15 599/4885GAA 1689/4885
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR2C ALDH1A1 458/4885ALOX15 596/4885GAA 1464/4885
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR5A, HTR2A, HTR2C ALDH1A1 408/4885ALOX15 617/4885GAA 1742/4885

“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.