SCHEMBL4387708

SCHEMBL4387708

CCOc1cccc(CCNC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
MAPT P10636 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GLS O94925 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.40
RAF1 P04049 1/20 0.40
HIF1A Q16665 1/20 0.39
CNR1 P21554 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL12407097 0.90 TRPV1 (0.45) TRPV1MAPTSMN1; SMN2TP53RAF1
SCHEMBL2173603 0.90 SGMS1 (0.49) TRPV1SMN1; SMN2TP53HIF1ALMNA
SCHEMBL283213 0.89 TRPV1 (0.58) TRPV1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4397597 0.89 TRPV1 (0.45) TRPV1SMN1; SMN2NPC1RAB9ARAF1
SCHEMBL2172869 0.88 CYP1A2 (0.43) TRPV1MAPTSMN1; SMN2HIF1AGAA
SCHEMBL4397607 0.87 CYP1A2 (0.46) TRPV1MAPTSMN1; SMN2GAAHTT
SCHEMBL4383985 0.87 LMNA (0.47) MAPTSMN1; SMN2TP53POLBLMNA
SCHEMBL5668972 0.85 NPC1 (0.52) MAPTGLSSMN1; SMN2NPC1RAB9A
SCHEMBL4392420 0.85 CYP1A2 (0.52) MAPTSMN1; SMN2NPC1GAAHTT
SCHEMBL2186611 0.85 TRPV1 (0.48) TRPV1MAPTGLSSMN1; SMN2NPC1

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 3477/4885MAPT 4524/4885CA1 2498/4885

“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.