Sugi Predict

Sugi Predict / Compounds / SCHEMBL4943378

SCHEMBL4943378

SCHEMBL4943378

C=CCNC(=O)[C@@H]1C/C(=N\OCc2ccc(OC)cc2)CN1C(=O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL4943427 1.00 MMP1 (0.43) MMP1MMP3MMP7MMP13TDP1
SCHEMBL4939985 0.82 MMP1 (0.44) MMP1MMP3MMP7MMP13TDP1
SCHEMBL4939996 0.82 MMP1 (0.44) MMP1MMP3MMP7MMP13TDP1
SCHEMBL4943092 0.79 MMP1 (0.50) MMP1MMP3MMP7MMP13TDP1
SCHEMBL4943095 0.79 MMP1 (0.50) MMP1MMP3MMP7MMP13TDP1
SCHEMBL4942827 0.76 MMP1 (0.42) MMP1MMP3MMP7MMP13HDAC8
SCHEMBL4942820 0.76 MMP1 (0.42) MMP1MMP3MMP7MMP13HDAC8
SCHEMBL4941744 0.74 AGTR2 (0.45) MMP1MMP3MMP7MMP13ALDH1A1
SCHEMBL4941738 0.74 AGTR2 (0.45) MMP1MMP3MMP7MMP13ALDH1A1
SCHEMBL5481861 0.73 OXTR (0.56) MMP1MMP3MMP7MMP13TDP1

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-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
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 4697/4885MMP3 4269/4885MMP7 2738/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MMP1 4703/4885MMP3 4253/4885MMP7 2409/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MMP1 4354/4885MMP3 4717/4885MMP7 4113/4885

“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.