SCHEMBL6709253

SCHEMBL6709253

O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cnoc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
NAMPT P43490 1/20 0.45
TRPV1 Q8NER1 6/20 0.43
ABL1 P00519 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
PRMT1 Q99873 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9843014 0.81 NPC1 (0.60) TRPV1TRPV4NPSR1
SCHEMBL8597230 0.79 NPC1 (0.56) MEN1KMT2A
SCHEMBL9842888 0.77 TRPV1 (0.60) TRPV1ABL1MEN1KMT2A
SCHEMBL9842954 0.77 NQO2 (0.54) CA1CA2MEN1KMT2ACA12
SCHEMBL11435148 0.76 TRPV1 (0.56) TRPV1TRPV4MEN1KMT2ANPSR1
SCHEMBL9081513 0.76 TRPV1 (0.50) NAMPTTRPV1PRMT1MEN1KMT2A
SCHEMBL8811207 0.76 TP53 (0.54) MEN1KMT2A
SCHEMBL8808773 0.76 MAPK1 (0.57) NAMPTMEN1KMT2ANPSR1
SCHEMBL892704 0.75 HTT (0.54) NAMPTMEN1KMT2AHPGD
SCHEMBL9842872 0.75 HDAC3 (0.59) NAMPTTRPV1CA1CA2MEN1

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 KIF11 3763/4885NAMPT 3034/4885TRPV1 4496/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC KIF11 3763/4885NAMPT 3034/4885TRPV1 4496/4885

“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.