Sugi Predict

Sugi Predict / Compounds / SCHEMBL4421983

SCHEMBL4421983

SCHEMBL4421983

CO/N=C1\C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ OXTR P30559 3/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ AVPR1A P37288 2/20 0.37
▸ MMP1 P03956 5/20 0.36
▸ MMP3 P08254 4/20 0.36
▸ MMP7 P09237 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL4416015 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL5743539 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL4945424 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL5946005 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL4945427 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL4421987 1.00 HSD17B10 (0.39) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL4941942 0.90 MMP1 (0.40) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL4941935 0.90 MMP1 (0.40) HSD17B10OXTRPTPN1AVPR1AMMP1
SCHEMBL8342965 0.87 HSD17B10 (0.40) HSD17B10PTPN1SMN1; SMN2LMNANPSR1
SCHEMBL4936035 0.86 MMP1 (0.36) HSD17B10PTPN1MMP1MMP3MMP7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 — — EP disclosed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 — — EP disclosed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 — — US disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 — — EP disclosed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 — — EP disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 — — US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 — — US disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 — — US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 — — US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 — — US disclosed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 — — EP disclosed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 — — WO 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
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 — — EP disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 — — EP disclosed
WO-2002102799-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 — — WO disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 — — WO 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 (5 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 HSD17B10 1183/4885OXTR 1/4885PTPN1 2502/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 HSD17B10 1166/4885OXTR 1/4885PTPN1 1985/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 HSD17B10 2438/4885OXTR 1/4885PTPN1 3323/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 HSD17B10 1111/4885OXTR 1/4885PTPN1 2347/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS HSD17B10 1885/4885OXTR 189/4885PTPN1 1229/4885

“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.