SCHEMBL2171648

SCHEMBL2171648

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.56
HTRA1 Q92743 1/20 0.43
CSNK1D P48730 1/20 0.42
ENPP2 Q13822 1/20 0.42
HIF1A Q16665 1/20 0.41
TP53 P04637 2/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
IGF1R P08069 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
SCHEMBL2173445 0.89 TRPV1 (0.53) TRPV1HTRA1CSNK1DHIF1ANPC1
SCHEMBL283213 0.85 TRPV1 (0.58) TRPV1CSNK1DHIF1ATP53IDO1
SCHEMBL2185866 0.78 TRPV1 (0.36) TRPV1HTRA1NPC1IGF1R
SCHEMBL2174510 0.78 ALDH1A1 (0.48) ENPP2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5668546 0.78 IGF1R (0.49) TRPV1HIF1ATP53IDO1NPC1
SCHEMBL2174484 0.78 IGF1R (0.49) TRPV1HIF1ATP53IDO1NPC1
SCHEMBL12407047 0.77 TRPV1 (0.61) TRPV1CSNK1DHIF1ANPC1RAB9A
SCHEMBL2171605 0.77 TRPV1 (0.58) TRPV1CSNK1DHIF1ATP53NPC1
SCHEMBL4383737 0.77 TRPV1 (0.58) TRPV1CSNK1DHIF1ATP53NPC1
SCHEMBL12407097 0.77 TRPV1 (0.45) TRPV1HIF1ATP53SMN1; SMN2HTT

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 6 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
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 3978/4885CSNK1D 632/4885

“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.