SCHEMBL1390089

SCHEMBL1390089

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(-c2ccccc2C(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.43
PPARG P37231 7/20 0.37
CTSA P10619 6/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
FFAR1 O14842 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL1390087 1.00 GPBAR1 (0.43) GPBAR1PPARGCTSALTB4R2NR1I2
SCHEMBL1390112 0.92 GPBAR1 (0.44) GPBAR1PPARGCTSAFFAR1
SCHEMBL1390114 0.92 GPBAR1 (0.44) GPBAR1PPARGCTSAFFAR1
SCHEMBL1390207 0.91 GPBAR1 (0.51) GPBAR1CTSAFFAR1
SCHEMBL1390206 0.91 GPBAR1 (0.51) GPBAR1CTSAFFAR1
SCHEMBL15949295 0.89 GPBAR1 (0.40) GPBAR1CTSA
SCHEMBL368681 0.86 BDKRB1 (0.41) GPBAR1
SCHEMBL1389912 0.86 GPBAR1 (0.40) GPBAR1CTSAFFAR1
SCHEMBL1389910 0.86 GPBAR1 (0.40) GPBAR1CTSAFFAR1
SCHEMBL15949026 0.85 GPBAR1 (0.41) GPBAR1CTSAFFAR1

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 1/4885PPARG 161/4885CTSA 3225/4885

“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.