SCHEMBL369714

SCHEMBL369714

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCCS(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
BRD4 O60885 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
SLC6A9 P48067 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL370208 0.90 GPBAR1 (0.46) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390123 0.90 GPBAR1 (0.46) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390120 0.90 GPBAR1 (0.46) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390430 0.89 EPHX2 (0.40) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390296 0.88 GPBAR1 (0.40) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390381 0.88 GCGR (0.43) EPHX2BRD4GPBAR1
SCHEMBL368212 0.88 TP53 (0.36) EPHX2BRD4LMNAPOLB
SCHEMBL1390386 0.86 MAPK1 (0.40) EPHX2BRD4GPBAR1SLC6A9LMNA
SCHEMBL1390429 0.86 SLC6A9 (0.43) EPHX2BRD4GPBAR1SLC6A9
SCHEMBL1390170 0.84 EPHX2 (0.42) EPHX2BRD4GPBAR1NPC1RAB9A

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 EPHX2 1909/4885BRD4 3540/4885GPBAR1 1/4885

“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.