SCHEMBL4934115

SCHEMBL4934115

COCOC1CCC(C(N)=O)(c2nc(C(=O)O)c(NC(=O)c3c(Cl)cc(Cl)cc3Cl)s2)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
IP6K1 Q92551 1/20 0.30

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
SCHEMBL4934112 0.71 CD38 (0.40)
SCHEMBL14114414 0.71 CD38 (0.40)
SCHEMBL4931435 0.62 ANO1 (0.40) KMT2A
SCHEMBL4934606 0.61 CHRM2 (0.36) ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL4931441 0.61 TBK1 (0.39) ALDH1A1SMN1; SMN2GAA
SCHEMBL4933915 0.60 TBK1 (0.41) ALDH1A1
SCHEMBL5007705 0.57 EPHX2 (0.31)
SCHEMBL4930917 0.56 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL4924406 0.55 HSPA5 (0.40) SMN1; SMN2KMT2A
SCHEMBL13527534 0.54 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 PSMD14 3968/4885ALDH1A1 3464/4885SMN1; SMN2 739/4885

“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.