SCHEMBL12650596

SCHEMBL12650596

CC(=O)C(Cc1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPA1 O75762 1/20 0.46
CTRB1 P17538 4/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
MDM2 Q00987 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 1/20 0.44
SLC15A1 P46059 1/20 0.43

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
SCHEMBL20363221 1.00 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15426321 0.86 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL66965 0.86 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4956059 0.84 TRPA1 (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9692685 0.83 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1703264 0.83 MAPT (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14591098 0.83 EPHX1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15426320 0.83 EPHX1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1706267 0.83 MAPT (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1709296 0.81 CYP1A2 (0.46) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (3 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-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STING1, IRF3, CGAS ALPI 2161/4885PKM 2998/4885PTGS1 493/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALPI 2315/4885PKM 3364/4885PTGS1 1891/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ALPI 2315/4885PKM 3364/4885PTGS1 1891/4885

“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.