SCHEMBL2173420

SCHEMBL2173420

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1cc(C(=O)NCCc2cccc(Cl)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.60
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 1/20 0.46
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
CNR1 P21554 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL2171605 0.85 TRPV1 (0.58) TRPV1RAB9AMAPTALDH1A1TP53
SCHEMBL283213 0.83 TRPV1 (0.58) TRPV1RAB9AMAPTLMNATP53
SCHEMBL4383737 0.83 TRPV1 (0.58) TRPV1RAB9AALDH1A1TP53HIF1A
SCHEMBL4390930 0.79 ADRB2 (0.48) POLBRAB9AMAPTALDH1A1LMNA
SCHEMBL2171648 0.77 TRPV1 (0.56) TRPV1RAB9AALDH1A1TP53HIF1A
SCHEMBL5670058 0.75 TRPV1 (0.45) TRPV1MAPTKDM4ELMNAGAA
SCHEMBL2174455 0.74 MAPT (0.60) POLBRAB9AMAPTALDH1A1LMNA
SCHEMBL2173445 0.74 TRPV1 (0.53) TRPV1RAB9AMAPTHIF1AHTT
SCHEMBL13788064 0.74 TRPV1 (0.46) TRPV1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2173603 0.74 SGMS1 (0.49) TRPV1LMNATP53HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP claimed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO claimed
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 3477/4885POLB 3321/4885RAB9A 2862/4885

“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.