SCHEMBL368358

SCHEMBL368358

Cc1cc(/C(C[C@H](c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.64
WNT3A P56704 1/20 0.41
CCNT1 O60563 11/20 0.40
CDK9 P50750 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 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
SCHEMBL368357 1.00 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9L3MBTL1
SCHEMBL368359 1.00 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9L3MBTL1
SCHEMBL368360 1.00 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9L3MBTL1
SCHEMBL370556 0.90 GPBAR1 (0.51) GPBAR1WNT3ACCNT1CDK9L3MBTL1
SCHEMBL370555 0.90 GPBAR1 (0.51) GPBAR1WNT3ACCNT1CDK9L3MBTL1
SCHEMBL1390709 0.87 GPBAR1 (0.68) GPBAR1WNT3A
SCHEMBL365068 0.87 GPBAR1 (0.68) GPBAR1WNT3A
SCHEMBL1389528 0.84 GPBAR1 (0.63) GPBAR1
SCHEMBL1389527 0.84 GPBAR1 (0.63) GPBAR1
SCHEMBL1389525 0.84 GPBAR1 (0.63) GPBAR1

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 8 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885WNT3A 4280/4885CCNT1 2103/4885

“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.