SCHEMBL363414

SCHEMBL363414

Cc1cc(C(=O)C[C@H](c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.55
TLR8 Q9NR97 5/20 0.42
TLR7 Q9NYK1 5/20 0.42
PRCP P42785 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
USP5 P45974 3/20 0.37
MCHR1 Q99705 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TLR9 Q9NR96 1/20 0.35
IRAK4 Q9NWZ3 1/20 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
SCHEMBL1390981 1.00 GPBAR1 (0.55) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL15948996 0.91 GPBAR1 (0.52) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390522 0.91 GPBAR1 (0.52) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390199 0.89 GPBAR1 (0.67) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390438 0.89 GPBAR1 (0.44) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390437 0.89 GPBAR1 (0.44) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL364224 0.89 GPBAR1 (0.67) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390201 0.89 GPBAR1 (0.67) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL1390200 0.89 GPBAR1 (0.67) GPBAR1TLR8TLR7PRCPPROKR1
SCHEMBL368625 0.89 GPBAR1 (0.53) GPBAR1TLR8TLR7PRCPPROKR1

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 6 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 claimed
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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885TLR8 654/4885TLR7 706/4885

“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.