SCHEMBL369620

SCHEMBL369620

Cc1cc(C(=O)CC(c2ccc(C3CN(S(N)(=O)=O)C3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.52
PROKR1 Q8TCW9 4/20 0.39
NR3C2 P08235 2/20 0.37
PRCP P42785 1/20 0.36
CTSA P10619 4/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP3 P08254 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL369619 1.00 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL15948996 0.93 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390522 0.93 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369435 0.89 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369432 0.89 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369434 0.89 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369433 0.89 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL370093 0.88 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPMEN1
SCHEMBL1390471 0.87 GPBAR1 (0.51) GPBAR1PROKR1NR3C2PRCPMEN1
SCHEMBL1390472 0.87 GPBAR1 (0.51) GPBAR1PROKR1NR3C2PRCPMEN1

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 5 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
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 1/4885PROKR1 242/4885NR3C2 232/4885

“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.