SCHEMBL1675998

SCHEMBL1675998

CN(CC(=O)O)C(=O)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.38
GCGR P47871 3/20 0.36
PLG P00747 2/20 0.36
PLAU P00749 2/20 0.36
PLAT P00750 2/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
KIF11 P52732 1/20 0.35
TRPM2 O94759 1/20 0.34
GRIN2B Q13224 1/20 0.34
MTOR P42345 1/20 0.33
MCHR1 Q99705 1/20 0.33
CCR1 P32246 1/20 0.33
DGAT1 O75907 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33

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
SCHEMBL1675996 1.00 S1PR5 (0.38) S1PR5GCGRPLGPLAUPLAT
SCHEMBL1676115 0.94 PLG (0.38) S1PR5GCGRPLGPLAUPLAT
SCHEMBL1676119 0.94 PLG (0.38) S1PR5GCGRPLGPLAUPLAT
SCHEMBL1676204 0.90 S1PR5 (0.37) S1PR5GCGRGRIN2BSLC13A5
SCHEMBL1676201 0.90 S1PR5 (0.37) S1PR5GCGRGRIN2BSLC13A5
SCHEMBL1676177 0.88 CNR1 (0.40) S1PR5GCGRSLC1A3SLC1A2SLC1A1
SCHEMBL1676181 0.88 CNR1 (0.40) S1PR5GCGRSLC1A3SLC1A2SLC1A1
SCHEMBL1481397 0.86 S1PR5 (0.42) S1PR5GCGRTRPM2SLC13A5
SCHEMBL1481399 0.86 S1PR5 (0.42) S1PR5GCGRTRPM2SLC13A5
SCHEMBL1676133 0.85 CNR1 (0.39) S1PR5GCGRPLGPLAUPLAT

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 3261/4885GCGR 610/4885PLG 2773/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885GCGR 610/4885PLG 2773/4885

“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.