SCHEMBL4704079

SCHEMBL4704079

CS(=O)(=O)CC[C@H](N)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
Hydrochloric Acid SCHEMBL7869080 0.80 TSHR (0.47) CASRCYP3A4CYP2C19LMNAKDM4E
SCHEMBL6824021 0.80 DPP7 (0.56) CASRCYP3A4CYP2C19KDM4ETSHR
SCHEMBL16435189 0.79 KDM4E (0.44) CASRCYP3A4CYP2C19KDM4EGAA
SCHEMBL9790303 0.79 KDM4E (0.44) CASRCYP3A4CYP2C19KDM4EGAA
SCHEMBL10076132 0.78 CYP3A4 (0.49) CYP3A4CYP2C19KDM4EGAASMN1; SMN2
SCHEMBL15124202 0.78 CYP3A4 (0.49) CYP3A4CYP2C19KDM4EGAASMN1; SMN2
SCHEMBL6484035 0.78 CYP3A4 (0.49) CYP3A4CYP2C19KDM4EGAASMN1; SMN2
SCHEMBL12352134 0.77 HTT (0.46) CYP3A4CYP2C19LMNAGAASMN1; SMN2
SCHEMBL4758016 0.77 CYP3A4 (0.47) CASRCYP3A4CYP2C19LMNAGAA
SCHEMBL4758007 0.77 CYP3A4 (0.47) CASRCYP3A4CYP2C19LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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 (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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 CASR 4182/4885CYP3A4 683/4885CYP2C19 305/4885

“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.