SCHEMBL4550529

SCHEMBL4550529

CC(C)c1ccc(CC(=O)NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)cc1.Cc1ccc(CCNC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)c(C)c1.Cc1ccc(F)cc1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccnc2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2ccncc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
DGAT2 Q96PD7 4/20 0.34
KCNK3 O14649 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
IGF1R P08069 1/20 0.34
MMP13 P45452 2/20 0.32
ENPP2 Q13822 2/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31
NAMPT P43490 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL4550530 0.91 DGAT2 (0.33) DGAT2LMNAENPP2
SCHEMBL283213 0.76 TRPV1 (0.58) TRPV1LMNAIGF1RTP53THRB
SCHEMBL2174484 0.75 IGF1R (0.49) TRPV1IGF1RTP53THRBNPC1
SCHEMBL5672021 0.75 BTK (0.30)
SCHEMBL2189562 0.74 TRPV1 (0.40) TRPV1IGF1RTP53THRBRAB9A
SCHEMBL12407097 0.73 TRPV1 (0.45) TRPV1IGF1RMMP13TP53MEN1
SCHEMBL4383676 0.73 MAPT (0.44) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL2173603 0.73 SGMS1 (0.49) TRPV1LMNAIGF1RMMP13TP53
SCHEMBL10126403 0.73 IGF1R (0.52) TRPV1LMNAIGF1RTP53THRB
SCHEMBL2172966 0.73 SMN1; SMN2 (0.51) IGF1RTHRBNPC1RAB9AMEN1

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 3477/4885DGAT2 2517/4885KCNK3 953/4885

“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.