SCHEMBL1194292

SCHEMBL1194292

CCCCCSCCOCCSCCCCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
THRB P10828 3/20 0.41
MAPT P10636 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES1 P23141 5/20 0.41
FAAH O00519 4/20 0.41
PLA2G6 O60733 1/20 0.41
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
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
SCHEMBL5382481 0.97 CES2 (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL29462497 0.97 CES2 (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL7602668 0.97 CES2 (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL11852318 0.95 THRB (0.46) CES2THRBMAPTGMNNTP53
SCHEMBL29462498 0.93 THRB (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL6694682 0.87 HTT (0.54) CES2THRBMAPTCES1MEN1
SCHEMBL9292781 0.87 THRB (0.48) CES2THRBMAPTGMNNTP53
SCHEMBL7637734 0.87 HTT (0.54) CES2THRBMAPTCES1MEN1
SCHEMBL9344102 0.87 THRB (0.48) CES2THRBMAPTGMNNTP53
SCHEMBL9344095 0.87 THRB (0.48) CES2THRBMAPTGMNNTP53

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-8076287-B2 Cyclic hexadepsipeptides, processes for their production and their use as pharmaceuticals THALLION PHARMACEUTICALS INC. (CA) 2011-12-13 US disclosed
US-20110028458-A1 INHIBITION OF CELL MIGRATION BY A FARNESYLATED DIBENZODIAZEPINONE THALLION PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2010019775-A2 METHODS OF TREATING RAS DRIVEN CANCER IN A SUBJECT THALLION PHARMACEUTICALS INC. (CA) 2010-02-18 WO disclosed
US-7655646-B2 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals THALLION PHARMACEUTICALS, INC. (CA) 2010-02-02 US disclosed
WO-2009124399-A1 INHIBITION OF CELL MIGRATION BY A FARNESYLATED DIBENZODIAZEPINONE THALLION PHARMACEUTICALS INC. (CA) 2009-10-15 WO disclosed
US-20090215789-A1 CYCLIC HEXADEPSIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS THALLION PHARMACEUTICALS, INC. (CA) 2009-08-27 US disclosed
US-20090170837-A1 METHODS FOR TREATING RAS DRIVEN CANCER IN A SUBJECT THALLION PHARMACEUTICALS INC. (CA) 2009-07-02 US disclosed
EP-1809612-A4 DIBENZODIAZEPINONE ANALOGUES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS THALLION PHARMACEUTICALS INC (CA) 2009-05-27 EP disclosed
US-20090062255-A1 TUMOR-TARGETING EVALUATION METHODOLOGY AND COMPOUNDS RELATED THERETO THALLION PHARMACEUTICALS INC. (CA) 2009-03-05 US disclosed
US-20090029972-A1 Dibenzodiazepinone Analogues, Processes for Their Production and Their Use as Pharmaceuticals ECOPIA BIOSCIENCES INC (CA) 2009-01-29 US disclosed
WO-2007126849-A1 CYCLIC HEXADEPSIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS THALLION PHARMACEUTICALS INC. (CA) 2007-11-08 WO disclosed
EP-1809612-A1 DIBENZODIAZEPINONE ANALOGUES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS Ecopia Biosciences Inc. (CA) 2007-07-25 EP disclosed
US-20060106028-A1 Polycyclic aromatics and derivatives thereof and processes for their preparation ECOPIA BIOSCIENCES, INC. 2006-05-18 US disclosed
WO-2006047891-A1 POLYCYCLIC AROMATICS AND DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION ECOPIA BIOSCIENCES INC. (CA) 2006-05-11 WO disclosed
US-20060079512-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals ECOPIA BIOSCIENCES, INC. 2006-04-13 US disclosed
US-20060079509-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals ECOPIA BIOSCIENCES, INC. 2006-04-13 US disclosed
WO-2006034574-A1 DIBENZODIAZEPINONE ANALOGUES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS ECOPIA BIOSCIENCES INC. (US) 2006-04-06 WO disclosed
US-20030216246-A1 Transition metal complexes containing sulfur ligands, and polylefin production processes using them COOK JESSICA A (US) 2003-11-20 US disclosed
EP-1328558-A2 TRANSITION METAL COMPLEXES CONTAINING SULFUR LIGANDS, AND POLYOLEFIN PRODUCTION PROCESSES USING THEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-07-23 EP disclosed
WO-2002032967-A2 TRANSITION METAL COMPLEXES CONTAINING SULFUR LIGANDS, AND POLYOLEFIN PRODUCTION PROCESSES USING THEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-04-25 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 (8 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-20090062255-A1 TUMOR-TARGETING EVALUATION METHODOLOGY AND COMPOUNDS RELATED THERETO TSPO, MAPK1, MAPK3 CES2 4117/4885THRB 846/4885MAPT 4015/4885
US-20060079509-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals UGT2B17, CYP1B1, CYP2C19 CES2 332/4885THRB 584/4885MAPT 2130/4885
US-20060079512-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals UGT2B17, CYP1B1, CYP2C19 CES2 332/4885THRB 584/4885MAPT 2130/4885
US-20060106028-A1 Polycyclic aromatics and derivatives thereof and processes for their preparation CYP51A1, PAH, DPM1 CES2 1545/4885THRB 3806/4885MAPT 2926/4885
US-20090170837-A1 METHODS FOR TREATING RAS DRIVEN CANCER IN A SUBJECT KRAS, NRAS, HRAS CES2 2724/4885THRB 1047/4885MAPT 4633/4885
US-20110028458-A1 INHIBITION OF CELL MIGRATION BY A FARNESYLATED DIBENZODIAZEPINONE NRAS, KRAS, CDC42 CES2 2828/4885THRB 2548/4885MAPT 4450/4885
US-20090029972-A1 Dibenzodiazepinone Analogues, Processes for Their Production and Their Use as Pharmaceuticals UGT2B17, CYP1B1, UGT2B7 CES2 328/4885THRB 514/4885MAPT 2118/4885
US-20090215789-A1 CYCLIC HEXADEPSIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS HM13, VIP, NPEPPS CES2 1332/4885THRB 3731/4885MAPT 2606/4885

“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.