SCHEMBL364113

SCHEMBL364113

Cc1ccccc1C(CC(=NO)c1ccncc1)c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.61
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNK3 O14649 1/20 0.37
CTSA P10619 4/20 0.37
NR3C2 P08235 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
CYP2D6 P10635 1/20 0.36
PLOD1 Q02809 1/20 0.36
HIF1A Q16665 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
SCHEMBL364112 1.00 GPBAR1 (0.61) GPBAR1ANPEPENPEPALDH1A1KCNK3
SCHEMBL365027 0.88 GPBAR1 (0.60) GPBAR1ANPEPENPEPALDH1A1KCNK3
SCHEMBL362608 0.88 GPBAR1 (0.60) GPBAR1ANPEPENPEPALDH1A1KCNK3
SCHEMBL10240950 0.87 GPBAR1 (0.74) GPBAR1ALDH1A1NR3C2GAACYP1A2
SCHEMBL363545 0.87 GPBAR1 (0.74) GPBAR1ALDH1A1NR3C2GAACYP1A2
SCHEMBL363306 0.87 GPBAR1 (0.74) GPBAR1ALDH1A1NR3C2GAACYP1A2
SCHEMBL10240850 0.85 GPBAR1 (0.52) GPBAR1ALDH1A1CTSANR3C2GAA
SCHEMBL371022 0.85 GPBAR1 (0.52) GPBAR1ALDH1A1CTSANR3C2GAA
SCHEMBL364001 0.85 GPBAR1 (0.52) GPBAR1ALDH1A1CTSANR3C2GAA
SCHEMBL10241009 0.84 GPBAR1 (0.75) GPBAR1CTSANR3C2

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 8 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885ANPEP 3257/4885ENPEP 2678/4885

“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.