SCHEMBL4445858

SCHEMBL4445858

CS(=O)(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.69
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5026710 0.82 F10 (1.00) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL5022242 0.81 F10 (0.77) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL4445875 0.81 F10 (1.00) F10
SCHEMBL5022491 0.80 F10 (0.76) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL5023474 0.80 F10 (0.76) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL5022987 0.80 F10 (0.76) F10L3MBTL1POLBHTTALDH1A1
SCHEMBL4443718 0.79 F10 (0.94) F10L3MBTL1POLBMEN1KMT2A
SCHEMBL5023535 0.78 F10 (0.73) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL5023423 0.78 F10 (0.73) F10L3MBTL1POLBALDH1A1LMNA
SCHEMBL4443639 0.78 F10 (1.00) F10L3MBTL1POLBMEN1KMT2A

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-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 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-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 F10 7/4885L3MBTL1 4664/4885POLB 2555/4885

“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.