SCHEMBL13624580

SCHEMBL13624580

CCOC(=O)NC(C)CCC(C)NC(=O)C(C)NC(=O)N(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
METAP2 P50579 4/20 0.31
METAP1 P53582 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HRH3 Q9Y5N1 3/20 0.30

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
SCHEMBL2736108 0.75 CHRNB2 (0.34) ACACBALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL9357904 0.71 HRH3 (0.45) SMN1; SMN2MAPK1LMNAHTTHRH3
SCHEMBL15961737 0.71 HRH3 (0.47) SMN1; SMN2MAPK1LMNAHTTALDH1A1
SCHEMBL18921970 0.70 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2MAPK1LMNAHTT
SCHEMBL26198819 0.70 SMN1; SMN2 (0.41) ACACBSMN1; SMN2MAPK1LMNAHTT
SCHEMBL26198820 0.70 SMN1; SMN2 (0.41) ACACBSMN1; SMN2MAPK1LMNAHTT
SCHEMBL21347466 0.69 LMNA (0.48) LMNAHRH3
SCHEMBL11167911 0.69 HRH3 (0.50) SMN1; SMN2MAPK1HRH3
SCHEMBL8912054 0.69 SMN1; SMN2 (0.40) CYP3A4SMN1; SMN2MAPK1LMNAHTT
SCHEMBL22387621 0.69 ACACB (0.43) ACACB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 ACACB 1308/4885CYP3A4 415/4885SMN1; SMN2 468/4885

“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.