SCHEMBL1389758

SCHEMBL1389758

Cc1cc(Cl)ccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(Oc2ccc(Cl)c(C(=O)O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.36
FFAR1 O14842 6/20 0.35
ADRB3 P13945 3/20 0.34
ADRB1 P08588 2/20 0.34
P2RX3 P56373 2/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL1389755 1.00 GPBAR1 (0.36) GPBAR1FFAR1ADRB3ADRB1P2RX3
SCHEMBL364646 0.93 P2RX3 (0.37) GPBAR1FFAR1ADRB3ADRB1P2RX3
SCHEMBL364647 0.93 P2RX3 (0.37) GPBAR1FFAR1ADRB3ADRB1P2RX3
SCHEMBL1389959 0.90 FFAR1 (0.35) GPBAR1FFAR1P2RX3
SCHEMBL1389962 0.90 FFAR1 (0.35) GPBAR1FFAR1P2RX3
SCHEMBL368539 0.90 FFAR1 (0.37) FFAR1ADRB3ADRB1P2RX3FNTA
SCHEMBL364385 0.89 P2RX3 (0.41) GPBAR1ADRB3P2RX3
SCHEMBL364384 0.89 P2RX3 (0.41) GPBAR1ADRB3P2RX3
SCHEMBL1389988 0.86 GPBAR1 (0.46) GPBAR1FFAR1
SCHEMBL1389987 0.86 GPBAR1 (0.46) GPBAR1FFAR1

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 4 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-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
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 1/4885FFAR1 14/4885ADRB3 15/4885

“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.