SCHEMBL6709231

SCHEMBL6709231

O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1c(C2CC2)n[nH]c1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
EPAS1 Q99814 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
RAC1 P63000 1/20 0.37
MEN1 O00255 1/20 0.37
KIF11 P52732 1/20 0.37
CRACR2A Q9BSW2 1/20 0.37
EPHX2 P34913 1/20 0.37
CHKA P35790 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 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
SCHEMBL6709425 0.87 EPAS1 (0.47) TRPV1EPAS1GAAKMT2ARXFP1
SCHEMBL6707859 0.86 EPAS1 (0.39) EPAS1SMN1; SMN2GAAUSP2POLB
SCHEMBL6707855 0.85 ALDH1A1 (0.44) TRPV1EPAS1SMN1; SMN2GAAUSP2
SCHEMBL6707279 0.81 GAA (0.45) TRPV1EPAS1SMN1; SMN2GAAUSP2
SCHEMBL6707226 0.80 EPAS1 (0.43) EPAS1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL6710654 0.77 RAB9A (0.56) SMN1; SMN2KMT2AMAPTALDH1A1RXFP1
SCHEMBL6709300 0.75 CCNA2 (0.43) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL6709199 0.73 RAB9A (0.44) EPAS1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL6712314 0.71 GAA (0.50) TRPV1EPAS1SMN1; SMN2GAAUSP2
SCHEMBL6707268 0.70 EPAS1 (0.50) TRPV1EPAS1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 US disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 US disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC TRPV1 4496/4885EPAS1 1776/4885SMN1; SMN2 2016/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC TRPV1 4496/4885EPAS1 1776/4885SMN1; SMN2 2016/4885

“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.