SCHEMBL1676754

SCHEMBL1676754

COC(=O)COc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
GPR34 Q9UPC5 1/20 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
KCNA3 P22001 1/20 0.35
GRIN2B Q13224 2/20 0.34
GRIN1 Q05586 1/20 0.34
GLA P06280 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CETP P11597 1/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL1676753 1.00 PTGS2 (0.42) PTGS2GPR34S1PR5PLGPLAU
SCHEMBL1676122 0.92 S1PR5 (0.39) GPR34S1PR5EGFRIGF1RFLT4
SCHEMBL1676124 0.92 S1PR5 (0.39) GPR34S1PR5EGFRIGF1RFLT4
SCHEMBL1481297 0.92 S1PR5 (0.38) S1PR5PLGPLAUPLATKDR
SCHEMBL1481296 0.92 S1PR5 (0.38) S1PR5PLGPLAUPLATKDR
SCHEMBL1676439 0.90 GPR34 (0.41) GPR34S1PR5PLGPLAUPLAT
SCHEMBL1676779 0.89 GCGR (0.38) S1PR5PLGPLAUPLATKDR
SCHEMBL1676777 0.89 GCGR (0.38) S1PR5PLGPLAUPLATKDR
SCHEMBL1481344 0.89 DRD2 (0.44) S1PR5PLGPLAUPLATMAPT
SCHEMBL1676238 0.89 S1PR5 (0.38) S1PR5PLGPLAUPLATGRIN2B

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 PTGS2 1321/4885GPR34 2601/4885S1PR5 3261/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PTGS2 1321/4885GPR34 2601/4885S1PR5 3261/4885

“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.