Sugi Predict

Sugi Predict / Compounds / SCHEMBL10045006

SCHEMBL10045006

SCHEMBL10045006

CC(C)COC(=O)N[C@H](C(=O)C(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ MMP2 P08253 3/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 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
▸ EPHX1 P07099 2/20 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
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 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
SCHEMBL10072766 0.87 SMN1; SMN2 (0.43) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10045004 0.87 ALDH1A1 (0.41) SMN1; SMN2MMP2CA12CA1CA2
SCHEMBL8354667 0.87 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072439 0.87 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL14401960 0.87 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072234 0.84 SMN1; SMN2 (0.41) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL8045840 0.83 MMP2 (0.44) SMN1; SMN2MMP1MMP9MMP14MMP2
SCHEMBL12018425 0.83 MMP2 (0.44) SMN1; SMN2MMP1MMP9MMP14MMP2
SCHEMBL10045005 0.81 MMP2 (0.39) SMN1; SMN2MMP1MMP9MMP14MMP2
SCHEMBL12402476 0.81 MMP2 (0.41) SMN1; SMN2MMP1MMP9MMP14MMP2

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 18 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-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 — — 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-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 — — 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-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
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 — — 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
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 (5 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 SMN1; SMN2 3580/4885CACNA1B 4795/4885MMP1 769/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 SMN1; SMN2 3708/4885CACNA1B 4692/4885MMP1 698/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 SMN1; SMN2 3197/4885CACNA1B 4455/4885MMP1 329/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 SMN1; SMN2 2636/4885CACNA1B 4850/4885MMP1 989/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS SMN1; SMN2 3580/4885CACNA1B 4795/4885MMP1 769/4885

“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.