SCHEMBL10072439

SCHEMBL10072439

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CACNA1B Q00975 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 1/20 0.38
EPHX1 P07099 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
CTSK P43235 1/20 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
SCHEMBL14401960 0.88 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL8354667 0.88 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10045006 0.87 SMN1; SMN2 (0.39) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072234 0.85 SMN1; SMN2 (0.41) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072215 0.84 ALDH1A1 (0.43) EPHX1HPGDTSHR
SCHEMBL10072766 0.83 SMN1; SMN2 (0.43) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072223 0.81 MMP2 (0.40) SMN1; SMN2MMP1MMP9MMP14MMP2
SCHEMBL8049489 0.80 MMP2 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL3265130 0.80 MMP2 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL5988909 0.79 MMP2 (0.40) MMP1MMP9MMP14MMP2MMP3

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 3708/4885CACNA1B 4692/4885MMP1 698/4885

“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.