SCHEMBL368804

SCHEMBL368804

Cc1ccccc1C(CC(=O)c1cnc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.49
EPHX2 P34913 4/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
BRD4 O60885 2/20 0.33
PTGS2 P35354 1/20 0.33
PHGDH O43175 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1390602 1.00 GPBAR1 (0.49) GPBAR1EPHX2PTGDR2MGAMGAA
SCHEMBL369637 0.88 GPBAR1 (0.51) GPBAR1EPHX2PTGDR2PTGS2
SCHEMBL369636 0.88 GPBAR1 (0.51) GPBAR1EPHX2PTGDR2PTGS2
SCHEMBL369635 0.88 GPBAR1 (0.51) GPBAR1EPHX2PTGDR2PTGS2
SCHEMBL369638 0.88 GPBAR1 (0.51) GPBAR1EPHX2PTGDR2PTGS2
SCHEMBL368670 0.87 GPBAR1 (0.49) GPBAR1MGAMGAASIMGAM2
SCHEMBL368669 0.87 GPBAR1 (0.49) GPBAR1MGAMGAASIMGAM2
SCHEMBL368246 0.85 GPBAR1 (0.52) GPBAR1EPHX2MGAMGAASI
SCHEMBL369537 0.85 GPBAR1 (0.52) GPBAR1EPHX2MGAMGAASI
SCHEMBL368247 0.85 GPBAR1 (0.52) GPBAR1EPHX2MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
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
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN 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 1/4885EPHX2 1909/4885PTGDR2 71/4885

“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.