SCHEMBL1676381

SCHEMBL1676381

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.43
S1PR5 Q9H228 2/20 0.42
GPR34 Q9UPC5 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
PTPN1 P18031 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
PPARA Q07869 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
FFAR1 O14842 1/20 0.39
GCGR P47871 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PDGFRA P16234 1/20 0.38
S1PR1 P21453 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL1676439 0.92 GPR34 (0.41) PPARDS1PR5GPR34LMNAMAPT
SCHEMBL1676460 0.92 FFAR4 (0.41) S1PR5GPR34THRATHRBFFAR1
SCHEMBL1676124 0.90 S1PR5 (0.39) PPARDS1PR5GPR34LTB4R2PTPN1
SCHEMBL1676122 0.90 S1PR5 (0.39) PPARDS1PR5GPR34LTB4R2PTPN1
SCHEMBL1676231 0.88 KDM4E (0.46) S1PR5LMNAHTTGRIN2B
SCHEMBL1676145 0.87 GRIN2B (0.47) MAPTGRIN2B
SCHEMBL1676632 0.86 PTGS1 (0.45) S1PR5LMNAMAPTHTTGRIN2B
SCHEMBL1676444 0.85 DRD2 (0.43) S1PR5MAPT
SCHEMBL1676229 0.83 NR4A2 (0.46) S1PR5GPR34FFAR1PDGFRAS1PR1
SCHEMBL1676754 0.82 PTGS2 (0.42) S1PR5GPR34GCGRLMNAMAPT

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 6 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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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 PPARD 2749/4885S1PR5 3261/4885GPR34 2601/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PPARD 2749/4885S1PR5 3261/4885GPR34 2601/4885

“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.