SCHEMBL370027

SCHEMBL370027

Cn1cc(C(=O)CC(c2ccc(S(C)(=O)=O)cc2)c2ccc(Cl)cc2F)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
AKR1C3 P42330 3/20 0.36
POLB P06746 2/20 0.35
BRD4 O60885 1/20 0.35
S1PR3 Q99500 3/20 0.35
CNR2 P34972 1/20 0.35
S1PR1 P21453 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL369115 0.92 PTGDR2 (0.36) POLBBRD4S1PR3CNR2S1PR1
SCHEMBL368299 0.90 ADRA1D (0.36) AKR1C3BRD4PTGDR2
SCHEMBL370157 0.90 GPBAR1 (0.39) EPHX2AKR1C3POLBBRD4CNR2
SCHEMBL369536 0.89 POLB (0.38) POLBS1PR3S1PR1
SCHEMBL370437 0.89 AKR1C3 (0.37) EPHX2AKR1C3POLBBRD4AKR1C2
SCHEMBL1390467 0.88 POLB (0.37) POLBBRD4S1PR3S1PR1
SCHEMBL1390110 0.88 GPBAR1 (0.35) EPHX2AKR1C3BRD4S1PR3CNR2
SCHEMBL1390113 0.88 GPBAR1 (0.35) EPHX2AKR1C3BRD4S1PR3CNR2
SCHEMBL1390111 0.88 GPBAR1 (0.35) EPHX2AKR1C3BRD4S1PR3CNR2
SCHEMBL371366 0.87 KMT2A (0.46) POLBBRD4S1PR3S1PR1

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 1909/4885AKR1C3 225/4885POLB 2940/4885

“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.