SCHEMBL8025306

SCHEMBL8025306

COC(=O)[C@@H]1C[C@@H](n2nnc(-c3ccc(OC)cc3)n2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL8026613 0.93 ELANE (0.48) ELANESMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL8028917 0.79 CYP3A4 (0.52) CYP3A4
SCHEMBL13880819 0.79 ELANE (0.44) ELANECYP3A4HDAC8
SCHEMBL1068111 0.77 HSD17B10 (0.43) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1068114 0.77 HSD17B10 (0.43) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1131373 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL10255074 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL15178632 0.72 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL12772797 0.72 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL14013034 0.72 CYP3A4 (0.47) ELANECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
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
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
WO-2009094438-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 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-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 ELANE 231/4885SMN1; SMN2 3708/4885HSD17B10 440/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 ELANE 166/4885SMN1; SMN2 3197/4885HSD17B10 1583/4885

“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.