SCHEMBL1389900

SCHEMBL1389900

Cc1cc(/C(C[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.72
NR3C2 P08235 1/20 0.36
CTSA P10619 6/20 0.34
EPHX2 P34913 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK1 P28482 2/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL1389904 1.00 GPBAR1 (0.72) GPBAR1NR3C2CTSAEPHX2PTGDR2
SCHEMBL1389901 1.00 GPBAR1 (0.72) GPBAR1NR3C2CTSAEPHX2PTGDR2
SCHEMBL1389898 1.00 GPBAR1 (0.72) GPBAR1NR3C2CTSAEPHX2PTGDR2
SCHEMBL1390218 0.90 GPBAR1 (0.65) GPBAR1NR3C2CTSA
SCHEMBL1390220 0.90 GPBAR1 (0.65) GPBAR1NR3C2CTSA
SCHEMBL364730 0.90 GPBAR1 (0.65) GPBAR1NR3C2CTSA
SCHEMBL1389741 0.90 GPBAR1 (0.67) GPBAR1CTSA
SCHEMBL1389740 0.90 GPBAR1 (0.67) GPBAR1CTSA
SCHEMBL10241016 0.90 GPBAR1 (0.67) GPBAR1CTSA
SCHEMBL1389747 0.88 GPBAR1 (0.78) GPBAR1NR3C2CTSA

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 1/4885NR3C2 232/4885CTSA 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.