SCHEMBL370001

SCHEMBL370001

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NC(CO)CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.39
CTSA P10619 9/20 0.38
BRD4 O60885 1/20 0.38
HPGD P15428 1/20 0.37
SLC6A9 P48067 1/20 0.36
CREBBP Q92793 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKACA P17612 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35

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
SCHEMBL1390341 0.91 BRD4 (0.39) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL1390311 0.91 BRD4 (0.39) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL371322 0.91 BRD4 (0.39) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL1390572 0.90 BRD4 (0.38) GPBAR1CTSABRD4SLC6A9CREBBP
SCHEMBL370385 0.90 BRD4 (0.38) GPBAR1CTSABRD4SLC6A9CREBBP
SCHEMBL1390406 0.90 BRD4 (0.38) GPBAR1CTSABRD4SLC6A9CREBBP
SCHEMBL1389778 0.89 GPBAR1 (0.49) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL1389775 0.89 GPBAR1 (0.49) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL369130 0.89 GPBAR1 (0.49) GPBAR1CTSABRD4HPGDSLC6A9
SCHEMBL14891642 0.86 BRD4 (0.45) GPBAR1BRD4HPGDCREBBPMEN1

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 GPBAR1 1/4885CTSA 3225/4885BRD4 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.