SCHEMBL818946

SCHEMBL818946

CCOC(=O)C(C)CSC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
ACE P12821 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL9792994 0.84 MME (0.39) MMEACEALDH1A1
SCHEMBL18113296 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10CYP3A4CYP2C19
SCHEMBL6229414 0.81 MME (0.46) MMEACE
SCHEMBL11003404 0.81 MME (0.46) MMEACE
SCHEMBL9089035 0.81 MME (0.46) MMEACE
SCHEMBL31065468 0.80 METAP2 (0.42) ALDH1A1LMNAHSD17B10CYP3A4CYP2C19
SCHEMBL12707543 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP3A4CYP2C19
SCHEMBL12707546 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP3A4CYP2C19
SCHEMBL16626926 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP3A4CYP2C19
SCHEMBL10826684 0.80 MME (0.42) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP disclosed
US-8536364-B2 Method for producing sulfur-containing carboxylic acid esters TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-17 US disclosed
US-8445051-B2 Thiol-containing fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-21 US disclosed
EP-2452933-A1 Method for producing sulfur-containing carboxylic acid esters Takasago International Corporation (JP) 2012-05-16 EP disclosed
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-17 US disclosed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
CN-102176838-A Thiol-containing fragrances and flavorings TAKASAGO PERFUMERY CO LTD 2011-09-07 CN disclosed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
EP-0480708-B1 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1995-10-11 EP disclosed
US-5428033-A Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP 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-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAS1R1, TAS2R1, TAS2R5 MME 4595/4885ACE 3926/4885ALDH1A1 29/4885
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS CBR3, ALDH18A1, TAS2R3 MME 4681/4885ACE 4002/4885ALDH1A1 37/4885

“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.