Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072234

SCHEMBL10072234

SCHEMBL10072234

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CACNA1B Q00975 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP14 P50281 2/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ MMP2 P08253 3/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL10072210 0.87 ALDH1A1 (0.42) EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14401960 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL8354667 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072439 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10045006 0.84 SMN1; SMN2 (0.39) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL10072262 0.84 EPHX1 (0.40) SMN1; SMN2MMP1MMP9MMP14EPHX1
SCHEMBL10072766 0.83 SMN1; SMN2 (0.43) SMN1; SMN2CACNA1BMMP1MMP9MMP14
SCHEMBL15887502 0.83 MMP2 (0.39) MMP1MMP9MMP14EPHX1MMP2
SCHEMBL10072271 0.83 MMP2 (0.39) MMP1MMP9MMP14EPHX1MMP2
SCHEMBL12943507 0.82 MMP2 (0.37) MMP1MMP9MMP14EPHX1MMP2

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 6 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-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

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 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

“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.