SCHEMBL6709528

SCHEMBL6709528

C=CCc1nocc1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
NAMPT P43490 1/20 0.40
TRPV1 Q8NER1 6/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
P2RX1 P51575 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AKR1C3 P42330 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 1/20 0.35

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
SCHEMBL6707208 0.85 SMN1; SMN2 (0.47) TRPV1NPC1RAB9AP2RX1AKR1C3
SCHEMBL6707158 0.82 KIF11 (0.43) KIF11NAMPTTRPV1CA12CA1
SCHEMBL6709304 0.80 KIF11 (0.48) KIF11NAMPTTRPV1NPC1RAB9A
SCHEMBL6707083 0.80 KIF11 (0.43) KIF11NAMPTTRPV1P2RX1RXFP1
SCHEMBL6710645 0.78 FLT1 (0.46) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL6709253 0.70 KIF11 (0.50) KIF11NAMPTTRPV1CA12CA1
SCHEMBL6707940 0.70 NPC1 (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL9083215 0.67 KIF11 (0.68) KIF11NAMPTCA12CA1CA2
SCHEMBL6707863 0.67 NPC1 (0.47) NPC1RAB9AP2RX1MAPTBLM
SCHEMBL6707261 0.66 GFER (0.60) KIF11NPC1RAB9AKMT2A

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.