SCHEMBL369280

SCHEMBL369280

Cn1cc(/C(CC(c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2Cl)=N/O)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.36
BRD4 O60885 2/20 0.34
AKR1C3 P42330 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PTGS2 P35354 3/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
CCR5 P51681 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL369282 1.00 GPBAR1 (0.36) GPBAR1BRD4AKR1C3PTGDR2ITGB1
SCHEMBL369281 1.00 GPBAR1 (0.36) GPBAR1BRD4AKR1C3PTGDR2ITGB1
SCHEMBL369333 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL1389671 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL369334 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL368806 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL368808 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL368807 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL1389674 0.90 GPBAR1 (0.41) GPBAR1BRD4AKR1C3ITGB1ITGA4
SCHEMBL1390110 0.89 GPBAR1 (0.35) GPBAR1BRD4AKR1C3PTGDR2PTGS2

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 11 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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 1/4885BRD4 3540/4885AKR1C3 225/4885

“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.