SCHEMBL4900591

SCHEMBL4900591

C[CH]NS(=O)(=O)NC(=O)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL26445212 0.78 TSHR (0.37) CA14TSHRCA12NPC1CYP1A2
SCHEMBL26444524 0.76 CA14 (0.42) CA14TSHRCA12NPC1CYP1A2
SCHEMBL3629258 0.73 TSHR (0.40) CA14TSHRCA12NPC1CYP1A2
SCHEMBL4900595 0.72 CA14 (0.37) CA14TSHRCA12NPC1CYP1A2
SCHEMBL11864816 0.71 HTT (0.39) CA14TSHRCA12NPC1CYP1A2
SCHEMBL22854252 0.70 CA1 (0.48) CA14CA12
SCHEMBL8431317 0.70
SCHEMBL5639646 0.69 TSHR (0.37) CA14TSHRCA12NPC1CYP1A2
SCHEMBL26444534 0.68 CA12 (0.36) CA14CA12
SCHEMBL29317125 0.68 TSHR (0.36) CA14TSHRCA12NPC1CYP1A2

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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 CA14 89/4885TSHR 727/4885CA12 33/4885

“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.