SCHEMBL6400583

SCHEMBL6400583

CC(=O)SCc1cnc2sccc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.37
MAPT P10636 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
CYP2A6 P11509 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PARP1 P09874 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL6400598 0.78 ABCB1 (0.34) MAPTCYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL6398236 0.78 CYP2A6 (0.51) MAPTMRGPRX4CYP2A6
SCHEMBL21858490 0.76 GABRP (0.44) MASP2MAPTMRGPRX4LMNATP53
SCHEMBL6405742 0.75 KRAS (0.39) MASP2MRGPRX4CYP2A6ABCG2
SCHEMBL14294458 0.75 PARP1 (0.39) MASP2CYP2A6LMNAPARP1ABCG2
SCHEMBL29750566 0.74 MTNR1A (0.36) MASP2MRGPRX4ALDH1A1
SCHEMBL5742532 0.74 MGAM (0.47) MAPTLMNA
SCHEMBL25054255 0.72 CYP2A6 (0.55) MASP2CYP2A6LMNAABCG2
SCHEMBL6398160 0.71
SCHEMBL26199744 0.71 CYP2A6 (0.35) MASP2CYP2A6ABCG2

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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MASP2 1503/4885MAPT 4864/4885MRGPRX4 1566/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MASP2 1454/4885MAPT 4873/4885MRGPRX4 1739/4885

“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.