SCHEMBL286332

SCHEMBL286332

Cc1nc(C)c(C(=O)O)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 5/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 4/20 0.49
POLB P06746 1/20 0.49
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 1/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
Hydrochloric Acid SCHEMBL9528992 0.98 ALDH1A1 (0.61) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL211358 0.81 RXFP1 (0.50) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL1477812 0.79 RAB9A (0.47) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL3344131 0.79 CNR1 (0.47) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL3655946 0.79 ALDH1A1 (0.61) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL241856 0.79 ALDH1A1 (0.61) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL4883695 0.79 ALDH1A1 (0.45) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
Bromide SCHEMBL6121613 0.79 SMN1; SMN2 (0.49) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL423145 0.79 RAB9A (0.47) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL15091637 0.79 ALDH1A1 (0.61) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117925570-B Method for extracting bioactive substances from placenta caprae seu ovis 蚌埠学院 2025-04-22 CN claimed
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
US-20200261383-A1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-08-20 US claimed
EP-3664780-A1 PHARMACEUTICAL COMPOSITIONS Kalvista Pharmaceuticals Limited (GB) 2020-06-17 EP claimed
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP claimed
US-10478409-B2 Pharmaceutical compositions KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-11-19 US claimed
EP-2943181-B1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LTD (GB) 2019-04-10 EP claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
WO-2019030540-A1 PHARMACEUTICAL COMPOSITIONS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-02-14 WO claimed
CN-109122732-A A kind of prevention and treatment ginger bacterial wilt of ginger combination sterilization composition 重庆文理学院 2019-01-04 CN claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US claimed
CN-1491208-A Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical ������ҽҩ�¹����޹�˾ 2004-04-21 CN claimed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US claimed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO claimed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP claimed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US claimed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL ALDH1A1 297/4885HPGD 469/4885TSHR 1344/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A ALDH1A1 953/4885HPGD 2403/4885TSHR 101/4885
US-20200261383-A1 PHARMACEUTICAL COMPOSITIONS ADCY9, PDE6D, PDE6G ALDH1A1 954/4885HPGD 2371/4885TSHR 685/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA ALDH1A1 343/4885HPGD 929/4885TSHR 871/4885
US-10478409-B2 Pharmaceutical compositions PDE6D, ABCC9, PDE6H ALDH1A1 475/4885HPGD 899/4885TSHR 692/4885

“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.