SCHEMBL4692583

SCHEMBL4692583

Cn1nc(-c2ccc(Br)cc2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
PHGDH O43175 8/20 0.47
MCL1 Q07820 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL28013863 0.86 MEN1 (0.47) PTPN1PHGDHMCL1RXFP1MEN1
SCHEMBL2792109 0.85 PHGDH (0.61) PTPN1PHGDHCA12CA1CA2
SCHEMBL2565586 0.84 MAPT (0.56) PTPN1PHGDHKDM4EGRNSORT1
SCHEMBL1414029 0.84 HDAC3 (0.56) PTPN1PHGDHKDM4EGRNSORT1
SCHEMBL10957361 0.83 CA12 (0.47) PHGDHRXFP1MEN1KMT2ACA12
SCHEMBL4692622 0.83 RXFP1 (0.47) PTPN1PHGDHKDM4EGRNSORT1
SCHEMBL30722885 0.82 PTPN1 (0.50) PTPN1PHGDHKDM4EGRNSORT1
SCHEMBL4688310 0.81 KDM4E (0.55) PTPN1PHGDHKDM4EGRNSORT1
SCHEMBL2730926 0.81 PHGDH (0.59) PTPN1PHGDHMCL1KDM4EMEN1
SCHEMBL3435537 0.81 PTPN1 (0.50) PTPN1PHGDHKDM4EGRNSORT1

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
CN-104592116-B 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof 山东大学 2017-01-11 CN claimed
CN-104592116-A 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof UNIV SHANDONG 2015-05-06 CN claimed
CN-104592116-B 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof 山东大学 2017-01-11 CN disclosed
CN-104592116-A 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof UNIV SHANDONG 2015-05-06 CN disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
EP-1685113-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-02 EP disclosed
WO-2005049578-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-02 WO disclosed
US-4495195-A ANTI-GOUT, ANTI-GOUTY ARTHRITIS AGENTS ELI LILLY AND COMPANY (US) 1985-01-22 US disclosed
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 EP 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 (1 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG PTPN1 2086/4885PHGDH 1884/4885MCL1 3380/4885

“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.