SCHEMBL4945463

SCHEMBL4945463

CCCCCc1ccc(C(=O)N2CC(=NOC(C)(C)C)C[C@H]2C(=O)NCCOC)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.40
MMP7 P09237 6/20 0.40
MMP3 P08254 5/20 0.40
MMP13 P45452 4/20 0.40
MMP2 P08253 2/20 0.40
TACR1 P25103 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CFTR P13569 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4945461 1.00 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4943934 0.87 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4943932 0.87 MMP1 (0.40) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4945246 0.85 EPHX2 (0.38) MMP1MMP7MMP3MMP13MMP2
SCHEMBL6095907 0.84 MMP1 (0.38) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4943333 0.79 OXTR (0.40) MMP1MMP7MMP3MMP13OXTR
SCHEMBL4943308 0.79 OXTR (0.40) MMP1MMP7MMP3MMP13OXTR
SCHEMBL4944368 0.77 TACR1 (0.34) MMP1MMP7MMP3MMP13TACR1
SCHEMBL4942949 0.76 EPHX2 (0.39) MEN1KMT2ACFTRL3MBTL1ALDH1A1
SCHEMBL4942950 0.76 EPHX2 (0.39) MEN1KMT2ACFTRL3MBTL1ALDH1A1

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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 (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 MMP1 4703/4885MMP7 2409/4885MMP3 4253/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MMP1 4354/4885MMP7 4113/4885MMP3 4717/4885

“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.