SCHEMBL8380411

SCHEMBL8380411

CCC(=O)[C@@H](O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TRPA1 O75762 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.46
ALPG P10696 1/20 0.46
MDM2 Q00987 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
SLC15A1 P46059 1/20 0.44
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL8919717 1.00 CYP1A2 (0.50) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL109575 1.00 CYP1A2 (0.50) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL454095 0.86 CES2 (0.52) CYP1A2TRPA1ALPIPKMPTGS1
SCHEMBL6121990 0.85 CYP1A2 (0.47) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL10272384 0.84 ALOX5 (0.58) RAB9APTGS1
SCHEMBL107523 0.82 ESR1 (0.49) SLC7A5TAAR1
SCHEMBL28186887 0.82 CYP1A2 (0.52) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL27557836 0.82 MDM2 (0.57) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL30433920 0.81 ANPEP (0.49) CYP1A2TRPA1NPC1RAB9AALPI
SCHEMBL106543 0.81 ANPEP (0.49) CYP1A2TRPA1NPC1RAB9AALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD CYP1A2 376/4885TRPA1 3992/4885NPC1 1346/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD CYP1A2 685/4885TRPA1 3384/4885NPC1 620/4885

“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.