SCHEMBL10241383

SCHEMBL10241383

Cc1cc(Cl)ccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.40
PTGS2 P35354 1/20 0.35
CHRNA7 P36544 6/20 0.35
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA9 Q16790 9/20 0.34
CA12 O43570 5/20 0.34
CA14 Q9ULX7 4/20 0.34
CA4 P22748 4/20 0.34
CYP2D6 P10635 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
SCHEMBL10241381 1.00 GPBAR1 (0.40) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL1390699 1.00 GPBAR1 (0.40) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL370177 1.00 GPBAR1 (0.40) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL369724 0.97 GPBAR1 (0.38) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL369726 0.97 GPBAR1 (0.38) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL369725 0.97 GPBAR1 (0.38) GPBAR1PTGS2CHRNA7CA1CA2
SCHEMBL15949073 0.92 GPBAR1 (0.40) GPBAR1CYP2D6
SCHEMBL15949075 0.92 GPBAR1 (0.40) GPBAR1CYP2D6
SCHEMBL1389860 0.90 GPBAR1 (0.40) GPBAR1CHRNA7CA1CA2CA9
SCHEMBL1390246 0.90 GPBAR1 (0.40) GPBAR1CHRNA7CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885PTGS2 259/4885CHRNA7 2081/4885

“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.