SCHEMBL6604993

SCHEMBL6604993

COc1ccc([C@@H](CS(=O)(=O)Cc2cnc3sccc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 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
SCHEMBL6399472 0.91 MASP2 (0.33)
SCHEMBL6431116 0.86 TRPM8 (0.39) MEN1TP53KMT2ASMN1; SMN2
SCHEMBL6607189 0.86 PPARG (0.33) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL6605219 0.86 TRPM8 (0.39) MEN1TP53KMT2ASMN1; SMN2
SCHEMBL6605211 0.86 TRPM8 (0.39) MEN1TP53KMT2ASMN1; SMN2
SCHEMBL6401244 0.83
SCHEMBL6429249 0.82 TRPM8 (0.37) MEN1TP53KMT2ASMN1; SMN2
SCHEMBL6403790 0.81 TRPM8 (0.36) KMT2ASMN1; SMN2
SCHEMBL6404230 0.79 MMP2 (0.34) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL6404232 0.79 MMP2 (0.34) MEN1NPC1TP53RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MEN1 1518/4885NPC1 2059/4885TP53 3170/4885

“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.