SCHEMBL4943313

SCHEMBL4943313

COc1ccc(CON=C2C[C@@H](C(=O)NCc3ccco3)N(C(=O)c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
OXTR P30559 2/20 0.45
HPGD P15428 5/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 1/20 0.44
AVPR1A P37288 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
F2 P00734 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL4943288 1.00 ALDH1A1 (0.46) ALDH1A1APOBEC3AAPOBEC3GOXTRHPGD
SCHEMBL4944079 0.85 ALDH1A1 (0.43) ALDH1A1OXTRHPGDLMNASMN1; SMN2
SCHEMBL4944083 0.85 ALDH1A1 (0.43) ALDH1A1OXTRHPGDLMNASMN1; SMN2
SCHEMBL7090115 0.81 OXTR (0.67) ALDH1A1APOBEC3AAPOBEC3GOXTRHPGD
SCHEMBL7090117 0.81 OXTR (0.67) ALDH1A1APOBEC3AAPOBEC3GOXTRHPGD
SCHEMBL4945261 0.81 OXTR (0.67) ALDH1A1APOBEC3AAPOBEC3GOXTRHPGD
SCHEMBL4939985 0.78 MMP1 (0.44) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL4939996 0.78 MMP1 (0.44) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL5734599 0.77 OXTR (0.53) OXTRMAPTAVPR1ARAB9AMMP1
SCHEMBL4939513 0.77 OXTR (0.53) OXTRMAPTAVPR1ARAB9AMMP1

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
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

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 ALDH1A1 3219/4885APOBEC3A 4779/4885APOBEC3G 4750/4885

“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.