SCHEMBL1390085

SCHEMBL1390085

Cc1cc(C(=O)C[C@@H](c2ccc(-c3ccc(C(=O)NC(C)C(=O)O)cc3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.60
▸ CTSA P10619 10/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ DGAT1 O75907 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL1390083 1.00 GPBAR1 (0.60) GPBAR1CTSAROCK2ROCK1DGAT1
SCHEMBL1390274 0.91 GPBAR1 (0.56) GPBAR1CTSAROCK2ROCK1RPS6KA5
SCHEMBL1390273 0.91 GPBAR1 (0.56) GPBAR1CTSAROCK2ROCK1RPS6KA5
SCHEMBL1390103 0.91 GPBAR1 (0.60) GPBAR1CTSAROCK2ROCK1RPS6KA5
SCHEMBL1390098 0.89 GPBAR1 (0.77) GPBAR1CTSAROCK2ROCK1DGAT1
SCHEMBL362477 0.89 GPBAR1 (0.77) GPBAR1CTSAROCK2ROCK1DGAT1
SCHEMBL10240995 0.89 GPBAR1 (0.77) GPBAR1CTSAROCK2ROCK1DGAT1
SCHEMBL1390099 0.89 GPBAR1 (0.77) GPBAR1CTSAROCK2ROCK1DGAT1
SCHEMBL363310 0.86 GPBAR1 (0.78) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362812 0.86 GPBAR1 (0.78) GPBAR1CTSAPSEN1PSEN2APH1B

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 3 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
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 1/4885CTSA 3225/4885ROCK2 4404/4885

“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.

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