SCHEMBL6403191

SCHEMBL6403191

C[C@@H](CSCc1ccc2sccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.45
PPARA Q07869 9/20 0.45
PPARD Q03181 2/20 0.43
CYP2A6 P11509 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PTPRB P23467 2/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL6399531 0.81 CA2 (0.38) CYP2A6CTSBCTSSCTSKCA2
SCHEMBL15485753 0.77 ROCK2 (0.45) CYP2A6TSHRSMN1; SMN2
SCHEMBL22457536 0.76 PPARA (0.67) PPARGPPARAPPARDCTSBCTSS
SCHEMBL30627625 0.75 CA2 (0.45) CYP2A6CA2TSHRLMNAALDH1A1
SCHEMBL6406961 0.74 CYP2A6 (0.46) CYP2A6CA2CTNNB1WNT3A
SCHEMBL6401548 0.73 CYP2A6 (0.45) CYP2A6CA2CTNNB1WNT3A
SCHEMBL11121473 0.71 CTSS (0.41) PPARGPPARACTSSCTSKCTNNB1
SCHEMBL6610892 0.71 CYP2A6 (0.41) CYP2A6CTNNB1WNT3A
SCHEMBL6605782 0.71 PTPRB (0.42) CTSBCTSSCTSKTSHRLMNA
SCHEMBL6605788 0.71 PTPRB (0.42) CTSBCTSSCTSKTSHRLMNA

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
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

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 PPARG 4606/4885PPARA 4618/4885PPARD 4516/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 PPARG 4630/4885PPARA 4589/4885PPARD 4494/4885

“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.