SCHEMBL10072262

SCHEMBL10072262

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
CTSK P43235 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MMP2 P08253 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP3 P08254 1/20 0.36
ALOX15 P16050 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 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
SCHEMBL16705489 0.92 ALOX15 (0.36) CTSKCTSLCTSBMMP2MMP1
SCHEMBL10072271 0.87 MMP2 (0.39) EPHX1MMP2CA12CA1CA2
SCHEMBL15887502 0.87 MMP2 (0.39) EPHX1MMP2CA12CA1CA2
SCHEMBL12943507 0.85 MMP2 (0.37) EPHX1MMP2CA12CA1CA2
SCHEMBL10072210 0.84 ALDH1A1 (0.42) EPHX1ALOX15LMNAALDH1A1NPSR1
SCHEMBL10072234 0.84 SMN1; SMN2 (0.41) EPHX1MMP2CA12CA1CA2
SCHEMBL20643834 0.82 MMP2 (0.33) EPHX1MMP2CA12CA1CA2
SCHEMBL10072223 0.82 MMP2 (0.40) EPHX1CTSKCTSLCTSBMMP2
SCHEMBL10072209 0.82 EPHX1 (0.46) EPHX1CTSKCTSLCA1CA2
SCHEMBL10045005 0.81 MMP2 (0.39) EPHX1CTSKCTSLCTSBMMP2

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-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-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 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-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 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 (4 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS EPHX1 410/4885CTSK 366/4885CTSL 17/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 EPHX1 1086/4885CTSK 186/4885CTSL 33/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 EPHX1 1468/4885CTSK 110/4885CTSL 28/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 EPHX1 557/4885CTSK 451/4885CTSL 33/4885

“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.