SCHEMBL3306458

SCHEMBL3306458

C[S+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.44
ALOX5 P09917 1/20 0.43
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
GCGR P47871 2/20 0.42
GRIA1 P42261 1/20 0.40
CSNK1D P48730 4/20 0.39

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
SCHEMBL27793218 0.87 MAPK14 (0.48) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL8387347 0.83 TNK2 (0.46) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL8390603 0.83 TNK2 (0.46) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL6930155 0.78 MAPK14 (0.67) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7354157 0.78 MAPK14 (0.67) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL14838246 0.74 CKS1B (0.46)
SCHEMBL8310271 0.71 MAPK14 (0.49) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL8309777 0.71 MAPK14 (0.49) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL23410401 0.69 GRIA1 (0.53) MAPK14GRIA1
SCHEMBL23410469 0.68 GRIA1 (0.52) MAPK14ALOX5MAPK13MAPK12MAPK11

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
US-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction GILEAD SCIENCES, INC. 2010-04-22 US disclosed
EP-2125841-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND BETA-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2009-12-02 EP disclosed
WO-2008076265-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND β-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2008-06-26 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-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction ADRB1, ADRB2, PDE11A MAPK14 1362/4885ALOX5 1756/4885MAPK13 836/4885

“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.