SCHEMBL4721643

SCHEMBL4721643

Cc1nc(-c2ccc(F)cc2)c(C(=O)O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.46
▸ MAPK13 O15264 3/20 0.46
▸ MAPK12 P53778 3/20 0.46
▸ MAPK11 Q15759 3/20 0.46
▸ ALOX5 P09917 3/20 0.46
▸ TGFBR1 P36897 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ PDE2A O00408 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42
▸ CSNK1D P48730 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ DHODH Q02127 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ GCGR P47871 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ PTGS1 P23219 1/20 0.40

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
SCHEMBL4720583 0.86 CHEK2 (0.41) MAPK14ALOX5KDM4EHPGDGSK3B
SCHEMBL4719596 0.86 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4879884 0.85 KDM4E (0.59) KDM4EHPGDSMN1; SMN2PDE2ADHODH
SCHEMBL15676717 0.85 KDM4E (0.52) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5762947 0.85 KDM4E (0.62) KDM4EHPGDSMN1; SMN2DHODH
SCHEMBL4722899 0.83 NPC1 (0.49) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL20568459 0.82 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4718390 0.79 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL16713033 0.79 KDM4E (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL14692202 0.79 PTGS2 (0.63) MAPK14MAPK13MAPK12MAPK11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 — — EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 — — US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 — — 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 MAPK14 26/4885MAPK13 30/4885MAPK12 33/4885

“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.

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