SCHEMBL369681

SCHEMBL369681

Cn1cc(C(CC(c2ccc(Br)cc2)c2ccc(F)cc2S(C)(=O)=O)=NO)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.42
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
EGFR P00533 2/20 0.32
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL369679 1.00 GPBAR1 (0.42) GPBAR1TBXA2RPTGDREGFREPHX2
SCHEMBL369680 1.00 GPBAR1 (0.42) GPBAR1TBXA2RPTGDREGFREPHX2
SCHEMBL369685 0.89 GPBAR1 (0.45) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL369684 0.89 GPBAR1 (0.45) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL369352 0.88 MGAM (0.35) GPBAR1TBXA2RPTGDREPHX2MEN1
SCHEMBL370735 0.88 GPBAR1 (0.51) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL368988 0.88 GPBAR1 (0.51) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL370736 0.88 GPBAR1 (0.51) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL369611 0.88 GPBAR1 (0.51) GPBAR1EGFRMEN1KMT2ARXFP1
SCHEMBL369048 0.88 GPBAR1 (0.51) GPBAR1EGFRMEN1KMT2ARXFP1

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 8 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885TBXA2R 58/4885PTGDR 105/4885

“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.