SCHEMBL2173445

SCHEMBL2173445

O=C(COc1ccc(OC(F)(F)F)cc1)NC(Cc1ccccc1)c1nc(C(=O)NCCc2cccc(Cl)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.53
HTRA1 Q92743 1/20 0.44
PTPN1 P18031 6/20 0.43
HIF1A Q16665 1/20 0.43
PTPRB P23467 2/20 0.42
GPR34 Q9UPC5 2/20 0.41
GCGR P47871 2/20 0.41
GIPR P48546 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL2171648 0.89 TRPV1 (0.56) TRPV1HTRA1HIF1ANPC1HTT
SCHEMBL2172774 0.83 PTPN1 (0.46) PTPN1PTPRBGPR34
SCHEMBL283213 0.82 TRPV1 (0.58) TRPV1HIF1AMAPTNPC1HTT
SCHEMBL2174194 0.80 PTPRB (0.51) PTPN1PTPRBMAPTNPC1RAB9A
SCHEMBL2185969 0.75 TRPV1 (0.59) TRPV1HIF1AGCGRGIPRMAPT
SCHEMBL12407047 0.75 TRPV1 (0.61) TRPV1HIF1AMAPTNPC1HTT
SCHEMBL2171605 0.74 TRPV1 (0.58) TRPV1HIF1AMAPTNPC1HTT
SCHEMBL4383737 0.74 TRPV1 (0.58) TRPV1HIF1ANPC1HTTRAB9A
SCHEMBL2173420 0.74 TRPV1 (0.60) TRPV1HIF1AMAPTNPC1HTT
SCHEMBL5668546 0.74 IGF1R (0.49) TRPV1HIF1AMAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US 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 (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 3477/4885HTRA1 3978/4885PTPN1 1011/4885

“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.