SCHEMBL525630

SCHEMBL525630

O=C(O)c1csc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.54
ALOX5 P09917 1/20 0.53
KDM1A O60341 3/20 0.52
NPY5R Q15761 1/20 0.52
GAA P10253 1/20 0.49
MAPT P10636 5/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CSNK2A1 P68400 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5441052 0.87 ALOX5 (0.60) CFTRALOX5MAPTMAPK1LMNA
SCHEMBL525812 0.84 KDM1A (0.56) ALOX5KDM1ANPY5RGAAMAPT
SCHEMBL5034911 0.82 ALOX5 (0.56) ALOX5KDM1AGAAMAPTL3MBTL1
SCHEMBL525271 0.82 KDM1A (0.54) KDM1AGAAMAPTMAPK1L3MBTL1
SCHEMBL2285389 0.82 AMY1A (0.60) KDM1AGAAMAPTL3MBTL1POLB
SCHEMBL525682 0.81 KDM1A (0.76) ALOX5KDM1AGAAMAPTMAPK1
SCHEMBL5200233 0.81 MAPT (0.68) ALOX5KDM1AGAAMAPTMAPK1
SCHEMBL4919827 0.81 KDM1A (0.76) KDM1AGAAMAPTMAPK1LMNA
SCHEMBL5442823 0.80 MAPT (0.50) CFTRALOX5NPY5RGAAMAPT
SCHEMBL3953547 0.80 MAPT (0.65) CFTRALOX5NPY5RGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US claimed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO claimed
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed
US-8080668-B2 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LIMITED (IN) 2011-12-20 US disclosed
US-8080668-B2 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LIMITED (IN) 2011-12-20 US disclosed
US-8080668-B2 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LIMITED (IN) 2011-12-20 US disclosed
EP-1907369-A4 THIAZOLES DERIVATIVES AS AMPK ACTIVATOR REDDYS LAB LTD DR (IN) 2009-07-22 EP disclosed
CN-101273022-A Thiazole derivatives as AMPK activators REDDYS LAB LTD DR (IN) 2008-09-24 CN disclosed
EP-1907369-A1 THIAZOLES DERIVATIVES AS AMPK ACTIVATOR Dr. Reddy's Laboratories Ltd. (IN) 2008-04-09 EP disclosed
US-20070015665-A1 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015665-A1 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015665-A1 Thiazoles derivatives as AMPK activator DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
WO-2007005785-A1 THIAZOLES DERIVATIVES AS AMPK ACTIVATOR DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-11 WO disclosed
WO-2007005785-A1 THIAZOLES DERIVATIVES AS AMPK ACTIVATOR DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-11 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 (2 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-20070015665-A1 Thiazoles derivatives as AMPK activator PRKAG1, PRKAG2, PRKAB1 CFTR 1209/4885ALOX5 3778/4885KDM1A 4356/4885
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 CFTR 934/4885ALOX5 516/4885KDM1A 2509/4885

“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.