SCHEMBL4773044

SCHEMBL4773044

CCSc1ncccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
CYP2C9 P11712 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.65
GAA P10253 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TP53 P04637 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.53

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
Nitric Acid SCHEMBL5739897 0.91 ALDH1A1 (0.57) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL3093813 0.87 SMN1; SMN2 (0.70) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL21233205 0.86 ALDH1A1 (0.50) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL1328541 0.85 ALDH1A1 (0.51) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL5660651 0.85 ALDH1A1 (0.49) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL15669005 0.84 SMN1; SMN2 (0.67) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL14398435 0.83 ALDH1A1 (0.68) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL2341793 0.83 SMN1; SMN2 (0.65) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL15669126 0.82 ALDH1A1 (0.61) ALDH1A1CYP2C9SMN1; SMN2GAANPC1
SCHEMBL15668691 0.82 ALDH1A1 (0.61) ALDH1A1CYP2C9SMN1; SMN2GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528798-B2 Compound for crop protectant LG CHEM, LTD. (KR) 2026-01-20 US disclosed
US-20240246945-A1 NOVEL COMPOUND FOR CROP PROTECTANT LG CHEM, LTD. (KR) 2024-07-25 US disclosed
WO-2021086044-A1 NOVEL COMPOUND FOR CROP PROTECTANT 주식회사 엘지화학 2021-05-06 WO disclosed
EP-2914580-B1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2019-02-20 EP disclosed
US-9447044-B2 Thioaryl derivatives as GPR120 agonists LG LIFE SCIENCES LTD. (KR) 2016-09-20 US disclosed
US-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2015-10-15 US disclosed
EP-2914580-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2015-09-09 EP disclosed
WO-2014069963-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-05-08 WO disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US disclosed
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 WO disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20020115692-A1 Tryptophan derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
WO-2002042294-A1 1-SULFONYL SUBSTITUTED TRYPTOPHANE DERIVATIVES AND ITS USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-05-30 WO disclosed
US-20020052295-A1 Diacyl derivatives of propylene diamine having herbicidal activity MONSANTO TECHNOLOGY LLC 2002-05-02 US disclosed
WO-2001046152-A1 HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE MONSANTO TECHNOLOGY LLC (US) 2001-06-28 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 (8 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA ALDH1A1 4205/4885CYP2C9 4233/4885SMN1; SMN2 3667/4885
US-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GCGR ALDH1A1 1822/4885CYP2C9 1953/4885SMN1; SMN2 4477/4885
US-20240246945-A1 NOVEL COMPOUND FOR CROP PROTECTANT KEAP1, BROX, GPX1 ALDH1A1 2249/4885CYP2C9 3365/4885SMN1; SMN2 4025/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA ALDH1A1 4319/4885CYP2C9 4286/4885SMN1; SMN2 3537/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 ALDH1A1 682/4885CYP2C9 3821/4885SMN1; SMN2 3947/4885
US-12528798-B2 Compound for crop protectant CBR1, CBR3, GSTO1 ALDH1A1 2445/4885CYP2C9 2243/4885SMN1; SMN2 3114/4885
US-20020115692-A1 Tryptophan derivatives IDO1, TPH1, IDO2 ALDH1A1 103/4885CYP2C9 747/4885SMN1; SMN2 2691/4885
US-20020052295-A1 Diacyl derivatives of propylene diamine having herbicidal activity DDT, SAT1, AOC1 ALDH1A1 232/4885CYP2C9 614/4885SMN1; SMN2 4037/4885

“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.