SCHEMBL2173513

SCHEMBL2173513

C[C@H](C(N)=O)c1ccc(Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.58
FFAR2 O15552 1/20 0.50
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44

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
SCHEMBL27818134 1.00 CCR4 (0.58) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL2173118 0.90 CCR4 (0.62) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL262399 0.90 CCR4 (0.62) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL2171585 0.90 CCR4 (0.62) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL2303876 0.89 FFAR2 (0.51) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL262169 0.89 FFAR2 (0.51) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL2303870 0.89 FFAR2 (0.51) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL12809681 0.82 CCR4 (0.52) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL2185845 0.79 FFAR2 (0.51) CCR4FFAR2NPC1RAB9AALDH1A1
SCHEMBL262464 0.79 FFAR2 (0.51) CCR4FFAR2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP claimed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US claimed
EP-2346841-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2011-07-27 EP claimed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 WO claimed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP claimed
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP 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-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them CXCR3, F2RL1, FPR2 CCR4 386/4885FFAR2 194/4885NPC1 1922/4885

“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.