SCHEMBL2803953

SCHEMBL2803953

COC(=O)c1ccc(Br)c(CS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 3/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL31252584 0.87 NOTUM (0.46) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL2772724 0.86 PTGS2 (0.41) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL2773772 0.85 POLB (0.41) SMN1; SMN2HPGDALDH1A1MAPTATM
SCHEMBL27374142 0.83 HTT (0.44) KDM4ESMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL31356459 0.82 NOTUM (0.44) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL2358109 0.82 NOTUM (0.53) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL256770 0.81 NOTUM (0.51) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL2310555 0.81 P4HB (0.52) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL29715212 0.81 NOTUM (0.51) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL6940884 0.80 NOTUM (0.50) NOTUMKDM4EHSD17B10SMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 NOTUM 4630/4885KDM4E 815/4885HSD17B10 3180/4885

“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.