SCHEMBL2685355

SCHEMBL2685355

COC(=O)[C@@H]1C[C@H](Sc2ccccc2Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PTPN1 P18031 1/20 0.39
P2RX3 P56373 2/20 0.39
HTRA1 Q92743 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP2 P08253 3/20 0.38
STS P08842 1/20 0.38
TSHR P16473 2/20 0.37
UCHL1 P09936 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CTSS P25774 2/20 0.35
PDE4B Q07343 1/20 0.35
NAMPT P43490 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
SCHEMBL696886 1.00 NR1H2 (0.42) NR1H2NR1H3PTPN1P2RX3HTRA1
SCHEMBL14974696 1.00 NR1H2 (0.42) NR1H2NR1H3PTPN1P2RX3HTRA1
SCHEMBL697218 0.93 NR1H2 (0.42) NR1H2NR1H3PTPN1P2RX3HTRA1
SCHEMBL15169964 0.87 ALDH1A1 (0.41) NR1H2NR1H3PTPN1P2RX3CYP1A2
SCHEMBL15184109 0.87 CYP1A2 (0.46) NR1H2NR1H3PTPN1P2RX3CYP1A2
SCHEMBL8097961 0.87 NR1H2 (0.43) NR1H2NR1H3PTPN1P2RX3HTRA1
SCHEMBL1536519 0.87 NR1H2 (0.43) NR1H2NR1H3PTPN1P2RX3HTRA1
SCHEMBL2106441 0.86 CTSS (0.44) NR1H2NR1H3PTPN1P2RX3CYP1A2
SCHEMBL724889 0.86 NR1H2 (0.40) NR1H2NR1H3PTPN1HTRA1CYP1A2
SCHEMBL6847765 0.85 NR1H2 (0.44) NR1H2NR1H3PTPN1HTRA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP disclosed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 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-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS NR1H2 4527/4885NR1H3 4570/4885PTPN1 3188/4885

“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.