SCHEMBL369115

SCHEMBL369115

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.34
S1PR3 Q99500 4/20 0.34
RORC P51449 3/20 0.34
S1PR1 P21453 2/20 0.34
CNR2 P34972 1/20 0.34
BRD4 O60885 1/20 0.33
MDM2 Q00987 1/20 0.33
EEF2K O00418 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL370027 0.92 EPHX2 (0.37) PTGDR2POLBS1PR3S1PR1CNR2
SCHEMBL369536 0.88 POLB (0.38) CYP2C9CYP2C19POLBS1PR3S1PR1
SCHEMBL368564 0.88 GPBAR1 (0.34) PTGDR2POLBS1PR3RORCS1PR1
SCHEMBL1389716 0.88 GPBAR1 (0.34) PTGDR2POLBS1PR3RORCS1PR1
SCHEMBL368566 0.88 GPBAR1 (0.34) PTGDR2POLBS1PR3RORCS1PR1
SCHEMBL1390467 0.88 POLB (0.37) CYP2C9CYP2C19POLBS1PR3S1PR1
SCHEMBL371366 0.87 KMT2A (0.46) CYP2C9CYP2C19POLBS1PR3S1PR1
SCHEMBL369928 0.86 CYP2C9 (0.39) CYP2C9CYP2C19POLBS1PR3S1PR1
SCHEMBL368299 0.84 ADRA1D (0.36) PTGDR2BRD4MDM2EEF2KGAA
SCHEMBL369981 0.83 EPHX2 (0.38) CYP2C9CYP2C19S1PR3S1PR1MDM2

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 PTGDR2 71/4885CYP2C9 1676/4885CYP2C19 1199/4885

“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.