SCHEMBL6283642

SCHEMBL6283642

CC1CN1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.55
HRH3 Q9Y5N1 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK1 Q15118 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
HSD11B1 P28845 1/20 0.50
EPHX2 P34913 5/20 0.49
MGLL Q99685 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
HCRTR2 O43614 1/20 0.46
KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL26927700 0.93 GHSR (0.51) GHSRHRH3PDK2PDK1PDK3
SCHEMBL26944535 0.88 GPR119 (0.48) GHSRHRH3PDK2PDK1PDK3
SCHEMBL17098969 0.81 GAA (0.60) PDK2PDK1PDK3PDK4
SCHEMBL3890041 0.80 DRD3 (0.63) GHSR
SCHEMBL5446015 0.80 HRH3 (0.53) GHSRHRH3HSD11B1EPHX2MGLL
SCHEMBL5446019 0.80 HRH3 (0.53) GHSRHRH3HSD11B1EPHX2MGLL
SCHEMBL6276561 0.79 HPGD (0.54) PDK2PDK1PDK3PDK4HSD11B1
SCHEMBL4626688 0.77 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL4626685 0.77 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL3901950 0.76 GAA (0.51) GHSRPDK2PDK1PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 GHSR 3424/4885HRH3 1645/4885PDK2 3113/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 GHSR 1773/4885HRH3 2196/4885PDK2 1545/4885

“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.