SCHEMBL368564

SCHEMBL368564

CCS(=O)(=O)c1ccc(C(C/C(=N/O)c2ccc(=O)n(C)c2)c2ccc(Cl)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
BRD4 O60885 2/20 0.32
RORC P51449 3/20 0.31
S1PR3 Q99500 3/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.31
EEF2K O00418 1/20 0.30

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
SCHEMBL368566 1.00 GPBAR1 (0.34) GPBAR1PTGDR2BRD4RORCS1PR3
SCHEMBL1389716 1.00 GPBAR1 (0.34) GPBAR1PTGDR2BRD4RORCS1PR3
SCHEMBL1390110 0.92 GPBAR1 (0.35) GPBAR1PTGDR2BRD4S1PR3S1PR1
SCHEMBL1390113 0.92 GPBAR1 (0.35) GPBAR1PTGDR2BRD4S1PR3S1PR1
SCHEMBL1390111 0.92 GPBAR1 (0.35) GPBAR1PTGDR2BRD4S1PR3S1PR1
SCHEMBL369115 0.88 PTGDR2 (0.36) PTGDR2BRD4RORCS1PR3S1PR1
SCHEMBL369601 0.88 GPBAR1 (0.36) GPBAR1BRD4S1PR3S1PR1
SCHEMBL369603 0.88 GPBAR1 (0.36) GPBAR1BRD4S1PR3S1PR1
SCHEMBL369602 0.88 GPBAR1 (0.36) GPBAR1BRD4S1PR3S1PR1
SCHEMBL363287 0.87 GPBAR1 (0.44) GPBAR1BRD4S1PR3S1PR1KMT2A

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 1/4885PTGDR2 71/4885BRD4 3540/4885

“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.