SCHEMBL10241385

SCHEMBL10241385

Cc1cc(Cl)ccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.39
BRD4 O60885 3/20 0.37
KIF11 P52732 1/20 0.37
PTGS2 P35354 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RORC P51449 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
GPR27 Q9NS67 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
PHGDH O43175 1/20 0.31
PPARG P37231 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL1390497 1.00 GPBAR1 (0.39) GPBAR1BRD4KIF11PTGS2KDM4E
SCHEMBL1390498 1.00 GPBAR1 (0.39) GPBAR1BRD4KIF11PTGS2KDM4E
SCHEMBL369952 0.97 GPBAR1 (0.37) GPBAR1BRD4KIF11KDM4ELMNA
SCHEMBL1389707 0.97 GPBAR1 (0.37) GPBAR1BRD4KIF11KDM4ELMNA
SCHEMBL1390208 0.88 BRPF1 (0.36) GPBAR1GPR27
SCHEMBL15949073 0.87 GPBAR1 (0.40) GPBAR1BRD4PPARG
SCHEMBL15949075 0.87 GPBAR1 (0.40) GPBAR1BRD4PPARG
SCHEMBL10241339 0.87 GPBAR1 (0.51) GPBAR1PHGDHPPARG
SCHEMBL369931 0.87 GPBAR1 (0.51) GPBAR1PHGDHPPARG
SCHEMBL369930 0.87 GPBAR1 (0.51) GPBAR1PHGDHPPARG

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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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 1/4885BRD4 3540/4885KIF11 3947/4885

“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.