SCHEMBL2525592

SCHEMBL2525592

CC(C)COCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SPHK1 Q9NYA1 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LPAR5 Q9H1C0 4/20 0.34
LPAR6 P43657 3/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR4 Q99677 3/20 0.34
LPAR2 Q9HBW0 3/20 0.34
LPAR3 Q9UBY5 3/20 0.34
CYP4F2 P78329 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
SCHEMBL2527672 1.00 USP2 (0.45) USP2SPHK1SPHK2HTTMEN1
SCHEMBL710232 0.98 USP2 (0.42) USP2SPHK1SPHK2HTTMEN1
SCHEMBL2956370 0.95 HTT (0.41) USP2SPHK1SPHK2HTTMEN1
SCHEMBL2962278 0.95 HTT (0.41) USP2SPHK1SPHK2HTTMEN1
SCHEMBL296903 0.90
SCHEMBL10119365 0.87 SPHK1 (0.44) USP2SPHK1SPHK2HTTMEN1
SCHEMBL31086433 0.87 SPHK1 (0.44) USP2SPHK1SPHK2HTTMEN1
SCHEMBL8814344 0.86 USP2 (0.45) USP2SPHK1SPHK2HTTMEN1
SCHEMBL8812942 0.86 USP2 (0.45) USP2SPHK1SPHK2HTTMEN1
1,4-Butanediol SCHEMBL29083545 0.85 SMN1; SMN2 (0.38) MEN1KMT2ALMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 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-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP 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-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 USP2 1765/4885SPHK1 2910/4885SPHK2 2108/4885

“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.