SCHEMBL6721928

SCHEMBL6721928

CCCCSCCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
MAPT P10636 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.41
CES1 P23141 5/20 0.40
FAAH O00519 4/20 0.38
PLA2G6 O60733 1/20 0.38
TYR P14679 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
LMNA P02545 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL7000978 0.97 CES2 (0.46) CES2MAPTGMNNTP53POLB
SCHEMBL7001843 0.97 CES2 (0.46) CES2MAPTGMNNTP53POLB
SCHEMBL4499982 0.97 CES2 (0.46) CES2MAPTGMNNTP53POLB
SCHEMBL4159939 0.92 CES2 (0.52) CES2MAPTGMNNTP53POLB
SCHEMBL8811352 0.92 CES2 (0.52) CES2MAPTGMNNTP53POLB
SCHEMBL8813994 0.92 CES2 (0.52) CES2MAPTGMNNTP53POLB
SCHEMBL8050737 0.92 CES2 (0.52) CES2MAPTGMNNTP53POLB
SCHEMBL6728866 0.92
SCHEMBL14814096 0.89 CES2 (0.48) CES2MAPTGMNNTP53POLB
SCHEMBL7001457 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
US-6525000-B1 N-aminoureas are reacted with formaldehyde to give methyleneimino ureas, cyclizing these to give tetrahydro-4H-1,3,4-oxa(or thia)diazines, and cyclizing the fused triazoles using phosgene; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
EP-1095045-B1 METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE BASF AG (DE) 2003-01-15 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 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-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS GPR119, GLP1R, INSR CES2 1645/4885MAPT 4426/4885GMNN 4673/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CES2 669/4885MAPT 4497/4885GMNN 1404/4885

“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.