SCHEMBL4953918

SCHEMBL4953918

CC(C)(C)OC(=O)NCc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.56
HDAC1 Q13547 1/20 0.53
DCLRE1B Q9H816 3/20 0.52
DCLRE1A Q6PJP8 1/20 0.52
KDM4A O75164 1/20 0.46
KCNA5 P22460 1/20 0.45
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
HNF4A P41235 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
EPHX2 P34913 1/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL28425305 0.85 HDAC1 (0.53) ACLYHDAC1KDM4AKCNA5CTSS
SCHEMBL8175623 0.85 HDAC1 (0.55) HDAC1KDM4AKCNA5CTSSCTSK
SCHEMBL16790458 0.84 EPHX2 (0.48) ACLYHDAC1KDM4AKCNA5EPHX2
SCHEMBL1808874 0.84 KCNA5 (0.56) HDAC1KDM4AKCNA5CTSSCTSK
SCHEMBL8184051 0.84 HDAC1 (0.52) HDAC1KDM4AKCNA5CTSSCTSK
SCHEMBL28646590 0.83 HDAC1 (0.59) HDAC1KDM4AKCNA5CTSSCTSK
SCHEMBL26659635 0.82 KCNA5 (0.55) HDAC1KDM4AKCNA5CTSSCTSK
SCHEMBL16635222 0.82 PPARD (0.42) ACLYHDAC1
SCHEMBL23979460 0.82 IDO1 (0.47) ACLYKDM4AKCNA5
SCHEMBL28215080 0.82 KDM4A (0.42) HDAC1DCLRE1BKDM4AKCNA5CTSS

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-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
EP-1263726-B1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-26 EP disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 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 (2 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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 ACLY 1861/4885HDAC1 897/4885DCLRE1B 1616/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 ACLY 1861/4885HDAC1 897/4885DCLRE1B 1616/4885

“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.