SCHEMBL4185072

SCHEMBL4185072

C=CCCCCN(C)C(=O)NC(CCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCC4 O15439 1/20 0.33
SLC6A5 Q9Y345 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 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
SCHEMBL4185064 1.00 EPHX2 (0.34) EPHX2LMNAMAPTALDH1A1ABCC4
SCHEMBL8083708 0.81
SCHEMBL4215223 0.80
SCHEMBL13929744 0.77 LMNA (0.31) EPHX2LMNAMAPTALDH1A1USP2
SCHEMBL4530365 0.77 PDF (0.37) EPHX2LMNAMAPTALDH1A1ABCC4
SCHEMBL2894902 0.74 SLC6A5 (0.35) LMNAMAPTALDH1A1ABCC4SLC6A5
SCHEMBL1274009 0.73 SMN1; SMN2 (0.37) EPHX2LMNAMAPTALDH1A1ABCC4
SCHEMBL731079 0.72 PDF (0.38) EPHX2LMNAMAPTALDH1A1ABCC4
SCHEMBL13951763 0.70
SCHEMBL1274031 0.70 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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 (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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 EPHX2 2513/4885LMNA 1940/4885MAPT 3486/4885

“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.