SCHEMBL368669

SCHEMBL368669

Cc1ccccc1[C@@H](CC(=O)c1cnc(=O)n(C)c1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.49
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
KMT2A Q03164 3/20 0.35
APAF1 O14727 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 3/20 0.34
CTSA P10619 1/20 0.34
NR3C2 P08235 1/20 0.33
PTGFR P43088 2/20 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
SCHEMBL368670 1.00 GPBAR1 (0.49) GPBAR1GAAMGAMSIMGAM2
SCHEMBL368804 0.87 GPBAR1 (0.49) GPBAR1GAAMGAMSIMGAM2
SCHEMBL1390602 0.87 GPBAR1 (0.49) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369933 0.87 GPBAR1 (0.61) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369934 0.87 GPBAR1 (0.61) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369932 0.87 GPBAR1 (0.61) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369935 0.87 GPBAR1 (0.61) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369140 0.84 GPBAR1 (0.54) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369733 0.84 GPBAR1 (0.54) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369139 0.84 GPBAR1 (0.54) GPBAR1GAAMGAMSIMGAM2

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 1/4885GAA 2696/4885MGAM 2443/4885

“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.