SCHEMBL363182

SCHEMBL363182

Cc1cc(C(=O)CC(c2cccc(S(C)(=O)=O)c2)c2ccccc2C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.50
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
NR3C2 P08235 1/20 0.39
CTSA P10619 7/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1390505 0.90 GPBAR1 (0.56) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL1390506 0.90 GPBAR1 (0.56) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL1390079 0.89 GPBAR1 (0.53) GPBAR1CTSA
SCHEMBL1390220 0.87 GPBAR1 (0.65) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL1390218 0.87 GPBAR1 (0.65) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL364730 0.87 GPBAR1 (0.65) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL1390447 0.87 GPBAR1 (0.62) GPBAR1GAANR3C2CTSAMGAM
SCHEMBL1390446 0.87 GPBAR1 (0.62) GPBAR1GAANR3C2CTSAMGAM
SCHEMBL1390038 0.84 GPBAR1 (0.52) GPBAR1ALDH1A1GAANR3C2CTSA
SCHEMBL15948998 0.83 CTSA (0.42) GPBAR1ALDH1A1GAACTSAMGAM

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 6 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
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 1/4885ALDH1A1 132/4885GAA 2696/4885

“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.