SCHEMBL10072766

SCHEMBL10072766

CCC(C)C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 2/20 0.38
EPHX2 P34913 2/20 0.36
CACNA1B Q00975 1/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP2 P08253 3/20 0.35
MMP3 P08254 1/20 0.35
SHBG P04278 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL10045006 0.87 SMN1; SMN2 (0.39) SMN1; SMN2EPHX1CACNA1BMMP1MMP9
SCHEMBL10072234 0.83 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1CACNA1BMMP1MMP9
SCHEMBL10072439 0.83 SMN1; SMN2 (0.40) SMN1; SMN2EPHX1CACNA1BMMP1MMP9
SCHEMBL8354667 0.83 SMN1; SMN2 (0.40) SMN1; SMN2EPHX1CACNA1BMMP1MMP9
SCHEMBL14401960 0.83 SMN1; SMN2 (0.40) SMN1; SMN2EPHX1CACNA1BMMP1MMP9
SCHEMBL10045004 0.77 ALDH1A1 (0.41) SMN1; SMN2EPHX1MMP2TSHRLMNA
SCHEMBL26497836 0.75 EPHX1 (0.40) EPHX1EPHX2MMP1MMP9MMP14
SCHEMBL16297745 0.74 MMP1 (0.42) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL8247068 0.73 RAB9A (0.41) CACNA1BHTTTSHR
SCHEMBL12018426 0.72 MAPK1 (0.35) SMN1; SMN2MAPK1HTT

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-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 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-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 SMN1; SMN2 3708/4885EPHX1 1086/4885EPHX2 1540/4885

“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.