SCHEMBL4397597

SCHEMBL4397597

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
VNN1 O95497 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39
HIF1A Q16665 1/20 0.39
CDK8 P49336 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2173603 0.91 SGMS1 (0.49) TRPV1LMNASGMS1HIF1ASMN1; SMN2
SCHEMBL283213 0.90 TRPV1 (0.58) TRPV1LMNASGMS1HIF1ANPC1
SCHEMBL12407097 0.90 TRPV1 (0.45) TRPV1SGMS1HIF1ASMN1; SMN2MEN1
SCHEMBL4387708 0.89 TRPV1 (0.44) TRPV1LMNAHIF1AALDH1A1NPC1
SCHEMBL4387635 0.85 SGMS1 (0.47) TRPV1LMNASGMS1ALDH1A1SMN1; SMN2
SCHEMBL2172869 0.85 CYP1A2 (0.43) TRPV1SGMS1HIF1AALDH1A1SMN1; SMN2
SCHEMBL4397607 0.85 CYP1A2 (0.46) TRPV1LMNASGMS1ALDH1A1SMN1; SMN2
SCHEMBL4396904 0.85 MAPT (0.48) TRPV1LMNASGMS1ALDH1A1SMN1; SMN2
SCHEMBL4392420 0.85 CYP1A2 (0.52) VNN1LMNASGMS1ALDH1A1NPC1
SCHEMBL5670058 0.84 TRPV1 (0.45) TRPV1VNN1GPR52LMNASGMS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TRPV1 3477/4885VNN1 4305/4885GPR52 1615/4885

“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.