SCHEMBL2779847

SCHEMBL2779847

CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)O)c(C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.62
MYC P01106 1/20 0.62
SOAT1 P35610 1/20 0.62
MAP2K3 P46734 1/20 0.62
FABP3 P05413 2/20 0.49
FABP4 P15090 2/20 0.49
FABP5 Q01469 1/20 0.49
NLRP3 Q96P20 7/20 0.41
GAA P10253 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LPAR1 Q92633 2/20 0.35
HDAC1 Q13547 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
SCHEMBL5456119 0.79 SOAT2 (0.67) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL5471770 0.78 SOAT2 (0.65) SOAT2MYCSOAT1MAP2K3FABP3
SCHEMBL7567505 0.77 SOAT2 (0.78) SOAT2MYCSOAT1MAP2K3
Avasimibe SCHEMBL15876 0.77 SOAT2 (1.00) SOAT2MYCSOAT1MAP2K3
SCHEMBL7572791 0.77 SOAT2 (0.78) SOAT2MYCSOAT1MAP2K3
SCHEMBL7570156 0.76 SOAT2 (0.77) SOAT2MYCSOAT1MAP2K3NLRP3
SCHEMBL7574340 0.76 SOAT2 (0.77) SOAT2MYCSOAT1MAP2K3LPAR1
SCHEMBL7565721 0.76 SOAT2 (0.77) SOAT2MYCSOAT1MAP2K3
SCHEMBL7566055 0.76 SOAT2 (0.77) SOAT2MYCSOAT1MAP2K3
SCHEMBL7567765 0.76 SOAT2 (0.75) SOAT2MYCSOAT1MAP2K3

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 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584333-A2 Use of acetylcoenzime A inhibitors for treating Alzheimer's disease Warner-Lambert Company LLC (US) 2005-10-12 EP claimed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO claimed
EP-1885726-B1 ORTHO-CONDENSED 2-PYRIDINONE DERIVATIVES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-2059519-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-12-18 EP disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-20100291034-A1 COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO SCHERING CORPORATION (US) 2010-11-18 US disclosed
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 US disclosed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US disclosed
WO-2002058732-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) ACTIVATOR(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058685-A2 COMBINATIONS OF NICOTINIC ACID AND DERIVATIVES THEREOF AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058733-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058696-A2 THE USE OF SUBSTITUTED AZETIDINONE COMPOUNDS FOR THE TREATMENT OF SITOSTEROLEMIA SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2001056556-A2 DUAL INHIBITORS OF CHOLESTERYL ESTER AND WAX ESTER SYNTHESIS FOR SEBACEOUS GLAND DISORDERS WARNER-LAMBERT COMPANY (US) 2001-08-09 WO disclosed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO 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 (4 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 SOAT2 958/4885MYC 2631/4885SOAT1 1298/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 SOAT2 958/4885MYC 2631/4885SOAT1 1298/4885
US-20100291034-A1 COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO CYP3A43, CYP3A4, CYP3A7 SOAT2 1090/4885MYC 2681/4885SOAT1 805/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 SOAT2 125/4885MYC 4181/4885SOAT1 83/4885

“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.