SCHEMBL369352

SCHEMBL369352

Cn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccc(F)cc2S(C)(=O)=O)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KMT2A Q03164 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
EPHX2 P34913 5/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
PPARG P37231 2/20 0.33
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ATM Q13315 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
SCHEMBL369328 0.88 PPARG (0.38) MGAMGAASIMGAM2KMT2A
SCHEMBL369681 0.88 GPBAR1 (0.42) KMT2ATBXA2RPTGDREPHX2GPBAR1
SCHEMBL369680 0.88 GPBAR1 (0.42) KMT2ATBXA2RPTGDREPHX2GPBAR1
SCHEMBL369679 0.88 GPBAR1 (0.42) KMT2ATBXA2RPTGDREPHX2GPBAR1
SCHEMBL1390233 0.87 GPBAR1 (0.40) MGAMGAASIMGAM2KMT2A
SCHEMBL370467 0.86 KMT2A (0.41) MGAMGAASIMGAM2KMT2A
SCHEMBL369472 0.85 MGAM (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL368888 0.81 MGAM (0.37) MGAMGAASIMGAM2KMT2A
SCHEMBL371366 0.80 KMT2A (0.46) MGAMGAASIMGAM2KMT2A
SCHEMBL371058 0.80 GAA (0.43) MGAMGAASIMGAM2KMT2A

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 5 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 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 MGAM 2443/4885GAA 2696/4885SI 3902/4885

“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.