SCHEMBL1676822

SCHEMBL1676822

COC(=O)CNc1ccc(Cn2cc(-c3c(Cl)cccc3Cl)nc2/C=C/c2ccc(-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
PLAU P00749 2/20 0.37
PLAT P00750 2/20 0.37
PLG P00747 1/20 0.37
P2RX7 Q99572 1/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 2/20 0.34
APP P05067 1/20 0.34
TRPM2 O94759 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GRIN2B Q13224 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ITGB1 P05556 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
SCHEMBL1676825 1.00 S1PR5 (0.38) S1PR5PLAUPLATPLGP2RX7
SCHEMBL1676173 0.92 S1PR5 (0.41) S1PR5PLAUPLATPLGKIF11
SCHEMBL1676169 0.92 S1PR5 (0.41) S1PR5PLAUPLATPLGKIF11
SCHEMBL1676779 0.90 GCGR (0.38) S1PR5PLAUPLATPLGMAPT
SCHEMBL1676777 0.90 GCGR (0.38) S1PR5PLAUPLATPLGMAPT
SCHEMBL1676977 0.88 S1PR5 (0.37) S1PR5PLAUPLATPLGKIF11
SCHEMBL1676978 0.88 S1PR5 (0.37) S1PR5PLAUPLATPLGKIF11
SCHEMBL1676148 0.84 MEN1 (0.44) S1PR5TRPM2HDAC1HDAC6
SCHEMBL1676146 0.84 MEN1 (0.44) S1PR5TRPM2HDAC1HDAC6
SCHEMBL1676133 0.83 CNR1 (0.39) S1PR5PLAUPLATPLGKIF11

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 S1PR5 3261/4885PLAU 3307/4885PLAT 2064/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885PLAU 3307/4885PLAT 2064/4885

“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.