SCHEMBL363613

SCHEMBL363613

Cc1cc(/C(C[C@H](c2ccc([C@H]3CC[C@@H](C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.75
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PROKR1 Q8TCW9 1/20 0.36
PRCP P42785 1/20 0.36
NR3C2 P08235 2/20 0.35
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
CTSA P10619 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL1390528 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL1390527 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL1390064 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL365381 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL1390626 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL1389881 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL1390066 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
SCHEMBL362418 1.00 GPBAR1 (0.75) GPBAR1NPC1RAB9APROKR1PRCP
Bicarbonate SCHEMBL15949121 0.90 GPBAR1 (0.69) GPBAR1PROKR1PRCPNR3C2
SCHEMBL369634 0.89 GPBAR1 (0.60) GPBAR1NPC1RAB9APROKR1PRCP

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 10 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
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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 1/4885NPC1 1074/4885RAB9A 3549/4885

“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.