SCHEMBL4943092

SCHEMBL4943092

CC(C)(C)NC(=O)[C@@H]1C/C(=N\OCc2ccccc2)CN1C(=O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.50
MMP3 P08254 3/20 0.50
MMP7 P09237 3/20 0.50
MMP13 P45452 2/20 0.50
PTPN1 P18031 1/20 0.42
CPT2 P23786 2/20 0.41
CPT1A P50416 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FKBP1A P62942 2/20 0.39
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4943095 1.00 MMP1 (0.50) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4942820 0.80 MMP1 (0.42) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4942827 0.80 MMP1 (0.42) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4943427 0.79 MMP1 (0.43) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4943378 0.79 MMP1 (0.43) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4938464 0.78 MAPT (0.56) MMP1MMP3MMP7MMP13POLB
SCHEMBL4938460 0.78 MAPT (0.56) MMP1MMP3MMP7MMP13POLB
SCHEMBL4938494 0.76 MMP1 (0.43) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4938501 0.76 MMP1 (0.43) MMP1MMP3MMP7MMP13PTPN1
SCHEMBL4939996 0.75 MMP1 (0.44) MMP1MMP3MMP7MMP13HDAC8

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 4 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-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

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MMP1 4703/4885MMP3 4253/4885MMP7 2409/4885

“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.