SCHEMBL1390455

SCHEMBL1390455

Cc1cc(C(=O)CC(c2ccc(C3CCN(S(N)(=O)=O)CC3)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.44
PROKR1 Q8TCW9 8/20 0.43
PRCP P42785 2/20 0.42
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
USP5 P45974 2/20 0.35
IDO1 P14902 1/20 0.35
MCHR1 Q99705 2/20 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
SCHEMBL364194 1.00 GPBAR1 (0.44) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL1390437 0.93 GPBAR1 (0.44) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL1390438 0.93 GPBAR1 (0.44) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL368813 0.90 GPBAR1 (0.55) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL1389563 0.90 GPBAR1 (0.55) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL368815 0.90 GPBAR1 (0.55) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL363867 0.90 GPBAR1 (0.55) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL365449 0.88 PROKR1 (0.46) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL1390428 0.88 PROKR1 (0.46) GPBAR1PROKR1PRCPTLR8TLR7
SCHEMBL365319 0.85 GPBAR1 (0.49) GPBAR1PROKR1PRCPIDO1MCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (1 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885PROKR1 242/4885PRCP 3366/4885

“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.