SCHEMBL371267

SCHEMBL371267

Cc1cc(F)ccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(NC(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.39
KMT2A Q03164 1/20 0.37
BRD4 O60885 4/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 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
SCHEMBL1389690 1.00 GPBAR1 (0.39) GPBAR1KMT2ABRD4ITGB3ITGA2B
SCHEMBL1389687 1.00 GPBAR1 (0.39) GPBAR1KMT2ABRD4ITGB3ITGA2B
SCHEMBL1390091 0.94 GPBAR1 (0.40) GPBAR1KMT2ABRD4LDHALDHB
SCHEMBL370985 0.94 GPBAR1 (0.40) GPBAR1KMT2ABRD4LDHALDHB
SCHEMBL1389883 0.90 GPBAR1 (0.39) GPBAR1KMT2ABRD4LDHALDHB
SCHEMBL1389884 0.90 GPBAR1 (0.39) GPBAR1KMT2ABRD4LDHALDHB
SCHEMBL1389743 0.87 GPBAR1 (0.51) GPBAR1BRD4
SCHEMBL1389744 0.87 GPBAR1 (0.51) GPBAR1BRD4
SCHEMBL1389738 0.87 GPBAR1 (0.51) GPBAR1BRD4
SCHEMBL1390250 0.85 GPBAR1 (0.41) GPBAR1KMT2ABRD4

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 6 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
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 1/4885KMT2A 3981/4885BRD4 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.