SCHEMBL985538

SCHEMBL985538

Cc1nc(O)cc(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
ALOX15 P16050 3/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45
DAO P14920 1/20 0.45
GPR35 Q9HC97 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
ACMSD Q8TDX5 1/20 0.38
IGFBP3 P17936 2/20 0.37
HCAR3 P49019 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36

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
Water SCHEMBL9423366 0.98 KMO (0.46) KMOALOX15TSHRHIF1AHCAR2
SCHEMBL3685745 0.86 ALOX15 (0.54) KMOALOX15TSHRHIF1AHCAR2
SCHEMBL27410251 0.81 LMNA (0.47) TSHRLMNA
SCHEMBL1760306 0.80 KMO (0.49) KMOALOX15TSHRHIF1AHCAR2
SCHEMBL7070167 0.78 KMO (0.30) KMO
SCHEMBL3808604 0.78 KDM4E (0.42) TDP1LMNAKDM4EMAPTALDH1A1
SCHEMBL14609864 0.78 BAZ2B (0.44) RAB9A
Orotic Acid SCHEMBL185887 0.77 ALOX15 (0.50) ALOX15TSHRHIF1AHCAR2DAO
SCHEMBL9196203 0.77 KMO (0.54) KMOALOX15TSHRHIF1AHCAR2
SCHEMBL125608 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339193-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2024-03-20 EP disclosed
CN-113330009-B Azacyclic compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN disclosed
WO-2022237858-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-11-17 WO disclosed
CN-115340528-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2022-11-15 CN disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
CN-113330009-A Nitrogen heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-08-31 CN disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 WO disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 WO disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 US disclosed
EP-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
CN-101910184-A Solubility thiazole and pyridine SIRTRIS PHARMACEUTICALS INC 2010-12-08 CN disclosed
CN-101827845-A Cgrp antagonists BOEHRINGER INGELHEIM INT 2010-09-08 CN disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
EP-2205599-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050234-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (2 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 KMO 634/4885ALOX15 1795/4885TSHR 1088/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 KMO 3996/4885ALOX15 2368/4885TSHR 1714/4885

“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.