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SCHEMBL4938441

SCHEMBL4938441

C=C1C[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(CCCCC)oc2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP7 P09237 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ CFTR P13569 11/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4944866 0.83 ALDH1A1 (0.40) POLBCYP2C19
SCHEMBL4944215 0.78 CFTR (0.41) CFTRPOLBCYP3A4CYP2C19EPHX2
SCHEMBL4941943 0.77 MAPT (0.45) POLB
SCHEMBL4943932 0.74 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL4943934 0.74 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL6095907 0.74 MMP1 (0.38) MMP1MMP2MMP3MMP7MMP13
SCHEMBL4945463 0.73 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL4945461 0.73 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP13
SCHEMBL7850968 0.72 L3MBTL1 (0.51) —
SCHEMBL4941694 0.69 ALDH1A1 (0.37) POLBCYP2C19

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 7 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-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 — — 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 — — 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR MMP1 4697/4885MMP2 4675/4885MMP3 4269/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MMP1 4703/4885MMP2 4554/4885MMP3 4253/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MMP1 4354/4885MMP2 4347/4885MMP3 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.