Sugi Predict

Sugi Predict / Compounds / SCHEMBL2395596

SCHEMBL2395596

SCHEMBL2395596

CC(=Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ ABL2 P42684 1/20 0.50
▸ FBP1 P09467 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CCR2 P41597 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL2395595 1.00 EGFR (0.50) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL48562 0.82 EGFR (0.54) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL48563 0.82 EGFR (0.54) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL2393712 0.75 KIF11 (0.42) ALDH1A1CCR2PIK3CDPIK3CAPIK3CB
SCHEMBL11166826 0.74 FBP1 (0.62) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL11166829 0.74 FBP1 (0.62) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL2029532 0.73 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL793495 0.72 FBP1 (0.61) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL793496 0.72 FBP1 (0.61) EGFRABL1ABL2FBP1ALDH1A1
SCHEMBL807778 0.72 FBP1 (0.61) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 — — US disclosed
CN-100569770-C 5-phenyl thiazole derivant and they purposes as the PI3 kinase inhibitor NOVARTIS AG (CH) 2009-12-16 — — CN 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
CN-1780832-A 5-phenylthiazole derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2006-05-31 — — CN disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 — — EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 — — 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 EGFR 608/4885ABL1 167/4885ABL2 875/4885

“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.