SCHEMBL362459

SCHEMBL362459

COC(=O)c1ccc(C(CC(=O)c2ccc(=O)[nH]c2)c2ccccc2Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
MGAM O43451 7/20 0.37
GAA P10253 7/20 0.37
SI P14410 7/20 0.37
MGAM2 Q2M2H8 7/20 0.37
EPHX2 P34913 2/20 0.36
CTSA P10619 4/20 0.35
ALDH1A1 P00352 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
SCHEMBL363538 0.88 TDP1 (0.38) TDP1MGAMGAASIMGAM2
SCHEMBL370596 0.83 CYP1A2 (0.40) TDP1POLBCTSAALDH1A1
SCHEMBL364325 0.81 CTSA (0.41) TDP1CTSA
SCHEMBL1390463 0.81 MGAM (0.46) MGAMGAASIMGAM2EPHX2
SCHEMBL371201 0.77 MGAM (0.53) MGAMGAASIMGAM2EPHX2
SCHEMBL371137 0.76 EPHX2 (0.50) MGAMGAASIMGAM2EPHX2
SCHEMBL364504 0.74 GPBAR1 (0.40) CTSA
SCHEMBL363154 0.73 HPGD (0.35) POLBCTSAALDH1A1
SCHEMBL370006 0.73 CYP2C9 (0.38) POLB
SCHEMBL362689 0.73 TDP1 (0.38) TDP1MGAMGAASIMGAM2

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 TDP1 2650/4885POLB 2940/4885MGAM 2443/4885

“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.