SCHEMBL4159939

SCHEMBL4159939

CCCCCSCCCCC[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
THRB P10828 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA2 P00918 1/20 0.50
FAAH O00519 4/20 0.45
CES1 P23141 4/20 0.45
PLA2G6 O60733 1/20 0.45
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
EPHX1 P07099 1/20 0.38
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37

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
SCHEMBL8050737 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8813994 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8811352 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL4499982 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL7001843 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL7000978 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL10590914 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL14814300 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL14814096 0.92 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL6721928 0.92 CES2 (0.43) CES2THRBGMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402183-A Boron-containing compound and medical application thereof 正大天晴药业集团股份有限公司 2024-01-16 CN disclosed
US-10954351-B2 Aprotic polymer-molten salt-solvent ternary composition, method for the preparation and use thereof in electrochemical systems HYDRO-QUéBEC (CA) 2021-03-23 US disclosed
US-20180155513-A1 APROTIC POLYMER/MOLTEN SALT TERNARY MIXTURE SOLVENT, METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROCHEMICAL SYSTEMS HYDRO-QUéBEC (CA) 2018-06-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
US-20090263723-A9 APROTIC POLYMER/MOLTEN SALT TERNARY MIXTURE SOLVENT, METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROCHEMICAL SYSTEMS HYDRO-QUEBEC (CA) 2009-10-22 US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
US-20090029263-A1 APROTIC POLYMER/MOLTEN SALT TERNARY MIXTURE SOLVENT, METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROCHEMICAL SYSTEMS HYDRO-QUEBEC (CA) 2009-01-29 US disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO disclosed
EP-0718688-B1 Photographic element containing a novel cyan dye forming coupler and process for its use EASTMAN KODAK CO (US) 2001-10-10 EP disclosed
EP-0718688-A1 Photographic element containing a novel cyan dye forming coupler and process for its use EASTMAN KODAK COMPANY (US) 1996-06-26 EP disclosed
US-4587050-A Substituted enantholactam derivatives as antihypertensives MERCK & CO., INC. (US) 1986-05-06 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 (1 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CES2 3791/4885THRB 545/4885GMNN 3633/4885

“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.