SCHEMBL1676779

SCHEMBL1676779

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.38
S1PR5 Q9H228 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
P2RX3 P56373 4/20 0.34
PTGDR Q13258 1/20 0.34
DPP4 P27487 1/20 0.34
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
ERBB2 P04626 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL1676777 1.00 GCGR (0.38) GCGRS1PR5PLGPLAUPLAT
SCHEMBL1676529 0.94 CNR1 (0.38) GCGRERBB2DRD2
SCHEMBL1676533 0.94 CNR1 (0.38) GCGRERBB2DRD2
SCHEMBL1676133 0.93 CNR1 (0.39) GCGRS1PR5PLGPLAUPLAT
SCHEMBL1676129 0.93 CNR1 (0.39) GCGRS1PR5PLGPLAUPLAT
SCHEMBL1481297 0.92 S1PR5 (0.38) S1PR5PLGPLAUPLATP2RX3
SCHEMBL1481296 0.92 S1PR5 (0.38) S1PR5PLGPLAUPLATP2RX3
SCHEMBL1676896 0.91 P2RX7 (0.34) GCGRS1PR5NPSR1PTGDRDPP4
SCHEMBL1676894 0.91 P2RX7 (0.34) GCGRS1PR5NPSR1PTGDRDPP4
SCHEMBL1676615 0.91 HDAC1 (0.38) S1PR5PLGPLAUPLATDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE GCGR 610/4885S1PR5 3261/4885PLG 2773/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GCGR 610/4885S1PR5 3261/4885PLG 2773/4885

“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.