SCHEMBL363930

SCHEMBL363930

COc1ccc(C(=O)CC(c2ccc(S(C)(=O)=O)cc2)c2ccccc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.42
EPHX2 P34913 3/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
KCNH2 Q12809 1/20 0.41
OXTR P30559 2/20 0.38
TSHR P16473 1/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
NNMT P40261 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR2 O15552 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL370366 0.89 CTSA (0.47) CTSAOXTRNNMTMAOAMAOB
SCHEMBL1390283 0.87 CTSA (0.44) CTSAKCNH2NNMTSMN1; SMN2ALDH1A1
SCHEMBL1390563 0.84 EPHX2 (0.40) EPHX2TAS2R14KCNH2NNMTMAOA
SCHEMBL364325 0.79 CTSA (0.41) CTSASMN1; SMN2TDP1
SCHEMBL1390203 0.78 NNMT (0.53) CTSAEPHX2TAS2R14OXTRNNMT
SCHEMBL27906104 0.78 CTSA (0.41) CTSASMN1; SMN2ALDH1A1
SCHEMBL371137 0.77 EPHX2 (0.50) EPHX2
SCHEMBL1390376 0.77 TAS2R14 (0.41) TAS2R14KCNH2OXTRTSHRAVPR2
SCHEMBL1390379 0.76 GPBAR1 (0.42) EPHX2FFAR2LMNA
SCHEMBL364075 0.76 KMT2A (0.39) CTSAEPHX2KCNH2OXTRAVPR1A

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 CTSA 3225/4885EPHX2 1909/4885TAS2R14 1808/4885

“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.