SCHEMBL1676124

SCHEMBL1676124

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
PPARD Q03181 4/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
PTPN1 P18031 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PPARA Q07869 1/20 0.37
CFTR P13569 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
FFAR1 O14842 1/20 0.36
GCGR P47871 2/20 0.36
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1676122 1.00 S1PR5 (0.39) S1PR5GPR34PPARDLTB4R2PTPN1
SCHEMBL1676753 0.92 PTGS2 (0.42) S1PR5GPR34GCGREGFRIGF1R
SCHEMBL1676754 0.92 PTGS2 (0.42) S1PR5GPR34GCGREGFRIGF1R
SCHEMBL1481397 0.90 S1PR5 (0.42) S1PR5PTGDR2THRATHRBGCGR
SCHEMBL1481399 0.90 S1PR5 (0.42) S1PR5PTGDR2THRATHRBGCGR
SCHEMBL1676381 0.90 PPARD (0.43) S1PR5GPR34PPARDLTB4R2PTPN1
SCHEMBL1676238 0.89 S1PR5 (0.38) S1PR5GCGREGFRIGF1RFLT4
SCHEMBL1481125 0.89 MEN1 (0.42) S1PR5LMNA
SCHEMBL1481124 0.89 MEN1 (0.42) S1PR5LMNA
SCHEMBL1676266 0.87 HDAC1 (0.39) S1PR5GCGRMAPT

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 2 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-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 S1PR5 3261/4885GPR34 2601/4885PPARD 2749/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885GPR34 2601/4885PPARD 2749/4885

“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.