SCHEMBL363087

SCHEMBL363087

Cc1cc(C(=O)CC(c2ccc(C(=O)O)cc2)c2ccccc2C)ccn1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.72
NR3C2 P08235 1/20 0.43
MGAM O43451 5/20 0.41
GAA P10253 5/20 0.41
SI P14410 5/20 0.41
MGAM2 Q2M2H8 5/20 0.41
CTSA P10619 6/20 0.39
KDM4C Q9H3R0 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALKBH2 Q6NS38 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36

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
SCHEMBL364037 1.00 GPBAR1 (0.72) GPBAR1NR3C2MGAMGAASI
SCHEMBL363310 0.97 GPBAR1 (0.78) GPBAR1NR3C2MGAMGAASI
SCHEMBL362812 0.97 GPBAR1 (0.78) GPBAR1NR3C2MGAMGAASI
SCHEMBL365538 0.97 GPBAR1 (0.78) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390446 0.93 GPBAR1 (0.62) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390447 0.93 GPBAR1 (0.62) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390536 0.91 GPBAR1 (0.60) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390535 0.91 GPBAR1 (0.60) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390417 0.90 GPBAR1 (0.59) GPBAR1NR3C2MGAMGAASI
SCHEMBL364416 0.90 GPBAR1 (0.59) GPBAR1NR3C2MGAMGAASI

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 GPBAR1 1/4885NR3C2 232/4885MGAM 2443/4885

“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.