SCHEMBL865337

SCHEMBL865337

C=CCCCCC[C@H](NC(=O)OC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SLC6A5 Q9Y345 2/20 0.42
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TGM2 P21980 9/20 0.41
ABCC4 O15439 1/20 0.41
RECQL P46063 1/20 0.39
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL865338 1.00 ALDH1A1 (0.47) ALDH1A1LMNASLC6A5MAPTUSP2
SCHEMBL1937084 0.85 CTSK (0.46) ALDH1A1SMN1; SMN2TGM2
SCHEMBL1445653 0.85 SMN1; SMN2 (0.44) ALDH1A1LMNASLC6A5MAPTUSP2
SCHEMBL330004 0.85 CTSK (0.46) ALDH1A1SMN1; SMN2TGM2
SCHEMBL1937079 0.85 CTSK (0.46) ALDH1A1SMN1; SMN2TGM2
SCHEMBL330005 0.85 CTSK (0.46) ALDH1A1SMN1; SMN2TGM2
SCHEMBL3683654 0.85 CTSK (0.46) ALDH1A1SMN1; SMN2TGM2
SCHEMBL2458918 0.85 TGM2 (0.42) ALDH1A1LMNASLC6A5MAPTUSP2
SCHEMBL2891734 0.85 TGM2 (0.42) ALDH1A1LMNASLC6A5MAPTUSP2
SCHEMBL2458923 0.85 TGM2 (0.42) ALDH1A1LMNASLC6A5MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
EP-2528436-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals Inc. (US) 2012-12-05 EP disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 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 (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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 ALDH1A1 901/4885LMNA 886/4885SLC6A5 2473/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 ALDH1A1 984/4885LMNA 821/4885SLC6A5 2631/4885

“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.