SCHEMBL48562

SCHEMBL48562

C/C(=C\c1ccc(S(C)(=O)=O)c(F)c1)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
ABL1 P00519 1/20 0.54
ABL2 P42684 1/20 0.54
FBP1 P09467 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
JAK2 O60674 1/20 0.47
MITF O75030 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS2 P35354 4/20 0.37
S1PR4 O95977 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 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
SCHEMBL48563 1.00 EGFR (0.54) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL2395595 0.82 EGFR (0.50) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL2395596 0.82 EGFR (0.50) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL12870264 0.82 EGFR (0.63) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL1178743 0.82 EGFR (0.63) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL1178739 0.82 EGFR (0.63) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL7019345 0.78 TDP1 (0.46) ALDH1A1MAPTPTGS2GPR35AKR1C3
SCHEMBL11166826 0.77 FBP1 (0.62) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL11166829 0.77 FBP1 (0.62) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL4064061 0.75 EGFR (0.55) EGFRABL1ABL2FBP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-7998990-B2 5-phenyl-thiazol-2-yl-urea derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2011-08-16 US disclosed
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20090234132-A1 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US 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 (7 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B EGFR 435/4885ABL1 134/4885ABL2 682/4885
US-20090234132-A1 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS CNKSR1, CDK8, MAPK8 EGFR 263/4885ABL1 99/4885ABL2 1322/4885
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK1 EGFR 1947/4885ABL1 199/4885ABL2 576/4885
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK3 EGFR 1830/4885ABL1 194/4885ABL2 565/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 EGFR 3229/4885ABL1 1367/4885ABL2 3009/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 EGFR 608/4885ABL1 167/4885ABL2 875/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B EGFR 435/4885ABL1 134/4885ABL2 682/4885

“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.