SCHEMBL4936797

SCHEMBL4936797

CON=C1CC(C(=O)NCc2cccs2)N(C(=O)CC(C)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
OXTR P30559 2/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
AVPR1A P37288 1/20 0.41

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
SCHEMBL4942686 1.00 POLB (0.45) POLBKMT2AOXTRGAAUSP2
SCHEMBL4942668 1.00 POLB (0.45) POLBKMT2AOXTRGAAUSP2
SCHEMBL4943366 0.84 OXTR (0.51) POLBOXTRUSP2ALDH1A1HPGD
SCHEMBL4943362 0.84 OXTR (0.51) POLBOXTRUSP2ALDH1A1HPGD
SCHEMBL6967859 0.84 OXTR (0.51) POLBOXTRUSP2ALDH1A1HPGD
SCHEMBL4942106 0.83 OXTR (0.51) POLBKMT2AOXTRGAAUSP2
SCHEMBL6979634 0.83 OXTR (0.51) POLBKMT2AOXTRGAAUSP2
SCHEMBL4942094 0.83 OXTR (0.51) POLBKMT2AOXTRGAAUSP2
SCHEMBL4942261 0.82 OXTR (0.67) POLBKMT2AOXTRGAAUSP2
SCHEMBL4939779 0.79 P2RX7 (0.48) KMT2AOXTRLMNAMAPTAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 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 (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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 POLB 2419/4885KMT2A 3594/4885OXTR 1/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS POLB 824/4885KMT2A 2727/4885OXTR 189/4885

“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.