SCHEMBL1676439

SCHEMBL1676439

COC(=O)COc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.41
S1PR5 Q9H228 1/20 0.39
GRIN2B Q13224 4/20 0.39
GRIN1 Q05586 2/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PPARD Q03181 1/20 0.37
CETP P11597 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1676381 0.92 PPARD (0.43) GPR34S1PR5GRIN2BPPARDLMNA
SCHEMBL1676754 0.90 PTGS2 (0.42) GPR34S1PR5GRIN2BGRIN1NOD2
SCHEMBL1676753 0.90 PTGS2 (0.42) GPR34S1PR5GRIN2BGRIN1NOD2
SCHEMBL1676145 0.88 GRIN2B (0.47) GRIN2BGRIN1NPC1RAB9AMAPT
SCHEMBL1676444 0.88 DRD2 (0.43) S1PR5CNR2CNR1NPC1RAB9A
SCHEMBL1676460 0.86 FFAR4 (0.41) GPR34S1PR5EGFRIGF1RFLT4
SCHEMBL1676231 0.84 KDM4E (0.46) S1PR5GRIN2BCNR2NPC1RAB9A
SCHEMBL1676632 0.84 PTGS1 (0.45) S1PR5GRIN2BGRIN1CNR2CNR1
SCHEMBL1676122 0.81 S1PR5 (0.39) GPR34S1PR5PPARDLMNAMAPT
SCHEMBL1676124 0.81 S1PR5 (0.39) GPR34S1PR5PPARDLMNAMAPT

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 GPR34 2601/4885S1PR5 3261/4885GRIN2B 4662/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GPR34 2601/4885S1PR5 3261/4885GRIN2B 4662/4885

“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.