SCHEMBL1676204

SCHEMBL1676204

CN(CC(=O)O)C(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.37
ARRB1 P49407 1/20 0.36
DPP4 P27487 1/20 0.35
GRIN2B Q13224 1/20 0.35
S1PR1 P21453 1/20 0.34
SLC6A7 Q99884 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GCGR P47871 2/20 0.33
KIFC1 Q9BW19 2/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
ERBB2 P04626 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1676201 1.00 S1PR5 (0.37) S1PR5ARRB1DPP4GRIN2BS1PR1
SCHEMBL1676680 0.93 NPC1 (0.35) S1PR5ARRB1DPP4GRIN2BSLC6A7
SCHEMBL1676677 0.93 NPC1 (0.35) S1PR5ARRB1DPP4GRIN2BSLC6A7
SCHEMBL1675996 0.90 S1PR5 (0.38) S1PR5GRIN2BGCGRSLC13A5
SCHEMBL1675998 0.90 S1PR5 (0.38) S1PR5GRIN2BGCGRSLC13A5
SCHEMBL1481125 0.89 MEN1 (0.42) S1PR5DPP4HDAC1HDAC6FNTA
SCHEMBL1481124 0.89 MEN1 (0.42) S1PR5DPP4HDAC1HDAC6FNTA
SCHEMBL1481399 0.88 S1PR5 (0.42) S1PR5DPP4GCGRFNTAPGGT1B
SCHEMBL1481397 0.88 S1PR5 (0.42) S1PR5DPP4GCGRFNTAPGGT1B
SCHEMBL1676380 0.87 DPP4 (0.40) S1PR5DPP4HDAC1HDAC6FNTA

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 3261/4885ARRB1 1194/4885DPP4 115/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE S1PR5 3261/4885ARRB1 1194/4885DPP4 115/4885

“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.