SCHEMBL10072271

SCHEMBL10072271

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
EPHX1 P07099 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MMP1 P03956 3/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP3 P08254 2/20 0.35
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MMP7 P09237 1/20 0.33
MMP13 P45452 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
SCHEMBL15887502 1.00 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL12943507 0.98 MMP2 (0.37) MMP2CA12CA1CA2CA9
SCHEMBL20643834 0.95 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL18596276 0.91 AAK1 (0.30) EPHX1AAK1
SCHEMBL8918588 0.91 AAK1 (0.30) EPHX1AAK1
SCHEMBL8915468 0.91 AAK1 (0.30) EPHX1AAK1
SCHEMBL10072210 0.87 ALDH1A1 (0.42) EPHX1NPSR1ALDH1A1TSHR
SCHEMBL10072262 0.87 EPHX1 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL10072209 0.84 EPHX1 (0.46) CA1CA2EPHX1AAK1
SCHEMBL10150991 0.84 AAK1 (0.36) MMP2MMP1MMP9MMP14AAK1

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 11 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-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 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-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS 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-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 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 (7 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 MMP2 145/4885CA12 1939/4885CA1 1572/4885
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS MMP2 153/4885CA12 694/4885CA1 799/4885
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS CTSC, DPP4, DNPEP MMP2 220/4885CA12 1854/4885CA1 1502/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 MMP2 191/4885CA12 2641/4885CA1 2946/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 MMP2 128/4885CA12 1116/4885CA1 1075/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 MMP2 195/4885CA12 1041/4885CA1 1563/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS MMP2 153/4885CA12 694/4885CA1 799/4885

“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.