SCHEMBL370252

SCHEMBL370252

Cc1ccccc1C(CC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 11/20 0.53
GAA P10253 11/20 0.53
SI P14410 11/20 0.53
MGAM2 Q2M2H8 11/20 0.53
GPBAR1 Q8TDU6 3/20 0.45
EPHX2 P34913 2/20 0.43
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1390521 1.00 MGAM (0.53) MGAMGAASIMGAM2GPBAR1
SCHEMBL1390916 1.00 MGAM (0.53) MGAMGAASIMGAM2GPBAR1
SCHEMBL371201 0.86 MGAM (0.53) MGAMGAASIMGAM2EPHX2
SCHEMBL370215 0.86 MGAM (0.53) MGAMGAASIMGAM2EPHX2
SCHEMBL1390164 0.85 MGAM (0.47) MGAMGAASIMGAM2GPBAR1
SCHEMBL370930 0.85 EPHX2 (0.45) MGAMGAASIMGAM2EPHX2
SCHEMBL369868 0.85 KMT2A (0.47) MGAMGAASIMGAM2EPHX2
SCHEMBL371358 0.84 GAA (0.46) MGAMGAASIMGAM2EPHX2
SCHEMBL370273 0.84 MGAM (0.37) MGAMGAASIMGAM2EPHX2
SCHEMBL369738 0.84 MGAM (0.50) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2015-01-22 US disclosed
EP-2771313-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
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
CN-103889948-A 1-cycloalkyl- or 1-heterocyclyl-hydroxyimino-3-phenyl-propanes HOFFMANN LA ROCHE 2014-06-25 CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2013060653-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US 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 (3 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-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 MGAM 3164/4885GAA 1763/4885SI 3299/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 MGAM 2443/4885GAA 2696/4885SI 3902/4885
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 MGAM 3164/4885GAA 1763/4885SI 3299/4885

“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.