SCHEMBL1481297

SCHEMBL1481297

COC(=O)Cc1ccc(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
S1PR5 Q9H228 1/20 0.38
LMNA P02545 2/20 0.37
BACE1 P56817 1/20 0.36
DPP4 P27487 1/20 0.35
ICMT O60725 2/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
DRD2 P14416 1/20 0.34
SYK P43405 1/20 0.34
P2RX3 P56373 1/20 0.34
ERBB2 P04626 1/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
TRPM2 O94759 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
CNR1 P21554 1/20 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
SCHEMBL1481296 1.00 S1PR5 (0.38) S1PR5LMNABACE1DPP4ICMT
SCHEMBL1676777 0.92 GCGR (0.38) S1PR5DPP4KDRTEKFNTA
SCHEMBL1676779 0.92 GCGR (0.38) S1PR5DPP4KDRTEKFNTA
SCHEMBL1676754 0.92 PTGS2 (0.42) S1PR5LMNADPP4KDRP2RX3
SCHEMBL1676753 0.92 PTGS2 (0.42) S1PR5LMNADPP4KDRP2RX3
SCHEMBL1481346 0.91 DRD2 (0.44) S1PR5DPP4DRD2MAPTPLG
SCHEMBL1481344 0.91 DRD2 (0.44) S1PR5DPP4DRD2MAPTPLG
SCHEMBL1481397 0.91 S1PR5 (0.42) S1PR5BACE1DPP4ICMTFNTA
SCHEMBL1481399 0.91 S1PR5 (0.42) S1PR5BACE1DPP4ICMTFNTA
SCHEMBL1676613 0.91 HDAC1 (0.38) S1PR5DPP4DRD2MAPTPLG

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 9 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO 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
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ S1PR5 2777/4885LMNA 4711/4885BACE1 4200/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE S1PR5 3261/4885LMNA 4379/4885BACE1 3869/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885LMNA 4379/4885BACE1 3869/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ S1PR5 2777/4885LMNA 4711/4885BACE1 4200/4885

“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.