SCHEMBL2525588

SCHEMBL2525588

CC(C)COCCCCCC[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
LPAR5 Q9H1C0 4/20 0.34
LPAR1 Q92633 7/20 0.33
LPAR3 Q9UBY5 7/20 0.33
PLA2G2C Q5R387 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 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
SCHEMBL2527671 1.00 SPHK1 (0.39) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL710231 0.98 SPHK1 (0.37) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL713562 0.90
SCHEMBL31086433 0.87 SPHK1 (0.44) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL10119365 0.87 SPHK1 (0.44) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL8814337 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL8812939 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL11858528 0.84 SPHK1 (0.42) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL8810626 0.83 SPHK1 (0.37) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL11601298 0.82 USP2 (0.34) SPHK1USP2HTTLPAR5LPAR1

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 31 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-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
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
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 SPHK1 2910/4885SPHK2 2108/4885USP2 1765/4885
US-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 SPHK1 202/4885SPHK2 210/4885USP2 1983/4885

“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.