SCHEMBL4945246

SCHEMBL4945246

CCCCCc1ccc(C(=O)N2CC(=NOC(C)(C)C)C[C@H]2C(=O)NCc2ccc(OC)c(OC)c2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP13 P45452 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4945242 1.00 EPHX2 (0.38) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4942949 0.92 EPHX2 (0.39) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4942950 0.92 EPHX2 (0.39) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4945461 0.85 MMP1 (0.40) ALDH1A1CFTRMMP1MMP2MMP3
SCHEMBL4945463 0.85 MMP1 (0.40) ALDH1A1CFTRMMP1MMP2MMP3
SCHEMBL4942929 0.84 EPHX2 (0.40) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4943697 0.82 EPHX2 (0.39) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4943701 0.82 EPHX2 (0.39) EPHX2SMN1; SMN2ALDH1A1CFTRCYP3A4
SCHEMBL4943932 0.82 MMP1 (0.40) CFTRPOLBMMP1MMP2MMP3
SCHEMBL4943934 0.82 MMP1 (0.40) CFTRPOLBMMP1MMP2MMP3

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-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

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 EPHX2 3175/4885SMN1; SMN2 1945/4885ALDH1A1 3219/4885

“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.