SCHEMBL836181

SCHEMBL836181

Cc1cc(F)ccc1C(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KEAP1 Q14145 1/20 0.41
CLCN2 P51788 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOTUM Q6P988 1/20 0.38
HDAC4 P56524 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SLC6A1 P30531 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NFE2L2 Q16236 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 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
SCHEMBL4029243 0.84 CES2 (0.50) CES2CES1KEAP1CLCN2HDAC4
SCHEMBL29728646 0.83 KEAP1 (0.53) CES2CES1KEAP1CLCN2NOTUM
SCHEMBL543572 0.83 KEAP1 (0.53) CES2CES1KEAP1CLCN2NOTUM
SCHEMBL2560228 0.81 CES2 (0.50) CES2CES1KEAP1CLCN2HDAC4
SCHEMBL27835076 0.81 CES2 (0.42) CES2CES1KEAP1CLCN2NOTUM
SCHEMBL3779540 0.79 CES2 (0.46) CES2CES1CLCN2HDAC4KDM4E
SCHEMBL7715988 0.79 CES2 (0.79) CES2CES1KEAP1KDM4E
SCHEMBL1121927 0.79 CES2 (0.48) CES2CES1KEAP1HDAC4
SCHEMBL30122043 0.79 NFE2L2 (0.54) CES2CES1NFE2L2
SCHEMBL8185535 0.79 NFE2L2 (0.54) CES2CES1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US disclosed
CN-101568341-A Composition comprising an nk-1 receptor antagonist and an ssri for the treatment of tinnitus and hearing loss GLAXO GROUP LTD (GB) 2009-10-28 CN disclosed
CN-100413850-C Chemical compounds GLAXO GROUP LTD (GB) 2008-08-27 CN disclosed
CN-1391564-A Chemical compounds GLAXO GROUP LTD (GB) 2003-01-15 CN 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-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CES2 2294/4885CES1 2484/4885KEAP1 798/4885

“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.