SCHEMBL1052298

SCHEMBL1052298

O=C(c1cccc(OCc2ccc(Cl)cc2F)c1OCC1CC1)c1c[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
HPD P32754 2/20 0.40
PTGER1 P34995 7/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
CYP3A4 P08684 1/20 0.37
P2RX7 Q99572 3/20 0.37
SGMS2 Q8NHU3 1/20 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
SCHEMBL1051521 0.92 HPD (0.39) FABP3FABP4FABP5HPDPTGER1
SCHEMBL1053508 0.89 FABP3 (0.43) FABP3FABP4FABP5HPDPTGER1
SCHEMBL416210 0.88 FABP3 (0.42) FABP3FABP4FABP5HPDPTGER1
SCHEMBL1053901 0.87 FABP3 (0.41) FABP3FABP4FABP5HPDPTGER1
SCHEMBL1053819 0.87 FABP3 (0.41) FABP3FABP4FABP5HPDPTGER1
SCHEMBL1051458 0.81 MAP2K1 (0.43) PTGER1SGMS2
SCHEMBL1053834 0.80 FABP3 (0.53) FABP3FABP4FABP5PTGER1CYP2C9
SCHEMBL412466 0.79 BRAF (0.49) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL1053363 0.78 CYP2C9 (0.41) PTGER1CYP2C9CYP2C19CYP3A4
SCHEMBL1054297 0.77 SGMS2 (0.46) CYP2C19CYP1A2CYP3A4SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641351-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC US 2010-02-03 CN claimed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
CN-101641351-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC US 2010-02-03 CN disclosed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 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 (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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FABP3 2830/4885FABP4 4576/4885FABP5 4320/4885

“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.