SCHEMBL369737

SCHEMBL369737

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 10/20 0.50
GAA P10253 10/20 0.50
SI P14410 10/20 0.50
MGAM2 Q2M2H8 10/20 0.50
GPBAR1 Q8TDU6 3/20 0.46
MMEL1 Q495T6 1/20 0.39
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
MME P08473 1/20 0.35
PMP22 Q01453 1/20 0.34

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
SCHEMBL369738 1.00 MGAM (0.50) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390916 0.84 MGAM (0.53) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390521 0.84 MGAM (0.53) MGAMGAASIMGAM2GPBAR1
SCHEMBL370252 0.84 MGAM (0.53) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390493 0.81 GPBAR1 (0.45) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390495 0.81 GPBAR1 (0.45) MGAMGAASIMGAM2GPBAR1
SCHEMBL368669 0.80 GPBAR1 (0.49) MGAMGAASIMGAM2GPBAR1
SCHEMBL368670 0.80 GPBAR1 (0.49) MGAMGAASIMGAM2GPBAR1
SCHEMBL14936474 0.79 GPBAR1 (0.47) MGAMGAASIMGAM2GPBAR1
SCHEMBL14936693 0.79 GPBAR1 (0.47) MGAMGAASIMGAM2GPBAR1

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 MGAM 2443/4885GAA 2696/4885SI 3902/4885

“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.