SCHEMBL4703501

SCHEMBL4703501

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3738889 0.81 CTSD (0.40) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL4704578 0.81 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL9103905 0.79 CYP3A4 (0.42) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL4706202 0.76 CYP3A4 (0.39) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL4702765 0.76 CYP3A4 (0.42) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL4705463 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C19CTSDCTSL
SCHEMBL5838948 0.74 PMP22 (0.32)
SCHEMBL4704079 0.74 CASR (0.43) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL4704282 0.71 CHRM1 (0.44) ALDH1A1MMP8SMN1; SMN2POLBRAB9A
SCHEMBL4705390 0.71 TSHR (0.46) ALDH1A1MMP8SMN1; SMN2RAB9ATSHR

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-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

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 ALDH1A1 3827/4885CYP3A4 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.