SCHEMBL369917

SCHEMBL369917

COC(=O)c1ccc(-c2ccc(C(CC(=NO)c3ccc(=O)n(C)c3)c3ccccc3Cl)cc2)c(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccccc2Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 13/20 0.35
GPBAR1 Q8TDU6 3/20 0.34
BRD4 O60885 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL1389657 0.87 GPBAR1 (0.39) CTSAGPBAR1
SCHEMBL1389658 0.87 GPBAR1 (0.39) CTSAGPBAR1
SCHEMBL369918 0.85 BDKRB1 (0.38) CTSAGPBAR1
SCHEMBL1389520 0.80 GPBAR1 (0.43) CTSAGPBAR1BRD4
SCHEMBL1389518 0.80 GPBAR1 (0.43) CTSAGPBAR1BRD4
SCHEMBL1389680 0.80 GPBAR1 (0.51) CTSAGPBAR1BRD4
SCHEMBL1389678 0.80 GPBAR1 (0.51) CTSAGPBAR1BRD4
SCHEMBL15949203 0.79 GPBAR1 (0.39) CTSAGPBAR1BRD4
SCHEMBL15949256 0.78 GPBAR1 (0.41) CTSAGPBAR1BRD4
SCHEMBL369149 0.78 GPBAR1 (0.42) CTSAGPBAR1BRD4

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 CTSA 3225/4885GPBAR1 1/4885BRD4 3540/4885

“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.