SCHEMBL1760964

SCHEMBL1760964

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.51
IDH2 P48735 1/20 0.51
PKLR P30613 1/20 0.49
SYK P43405 1/20 0.47
TACR1 P25103 1/20 0.43
PDK2 Q15119 1/20 0.43
RORC P51449 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HDAC4 P56524 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
GRM5 P41594 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
TGFBR1 P36897 1/20 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
SCHEMBL20396132 0.91 IDH1 (0.48) IDH1IDH2PKLRSYKTACR1
SCHEMBL23873483 0.91 CYP11B2 (0.42) IDH1IDH2PKLRSYKPDK2
SCHEMBL30010379 0.91 CYP11B2 (0.42) IDH1IDH2PKLRSYKPDK2
SCHEMBL443155 0.83 CYP11B2 (0.42) SYKPDK2CYP11B2GPR119GRM5
SCHEMBL30149275 0.83 CYP11B2 (0.42) SYKPDK2CYP11B2GPR119GRM5
SCHEMBL22932960 0.83 OPRD1 (0.42) SYKCYP11B2GPR119GRM5ALOX15
SCHEMBL24265731 0.83 POLB (0.46) SYKPDK2CYP11B2GPR119GRM5
SCHEMBL29574116 0.83 POLB (0.46) SYKPDK2CYP11B2GPR119GRM5
SCHEMBL26081092 0.81 IDH1 (0.49) IDH1IDH2SYKTACR1PDK2
SCHEMBL30328017 0.81 HRH3 (0.53) IDH1IDH2TACR1HRH3CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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 (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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R IDH1 3342/4885IDH2 3203/4885PKLR 2247/4885

“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.