Sugi Predict

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SCHEMBL3249850

SCHEMBL3249850

CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.38
▸ MAP2K4 P45985 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34

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
SCHEMBL32680213 0.90 NR1H2 (0.40) NR1H2MAP2K4MAPTCA12CA9
SCHEMBL513618 0.85 NR1H2 (0.38) NR1H2CA12CA9NR1H3
SCHEMBL31601069 0.85 NR1H2 (0.38) NR1H2CA12CA9NR1H3
SCHEMBL29955923 0.83 NR1H2 (0.43) NR1H2CA12CA9GPR119NR1H3
SCHEMBL594086 0.83 NR1H2 (0.43) NR1H2CA12CA9GPR119NR1H3
SCHEMBL1030670 0.83 KCNQ3 (0.39) NR1H2CA12CA9GPR119
SCHEMBL1605189 0.82 NR1H2 (0.38) NR1H2CA12CA9NR1H3ALDH1A1
SCHEMBL29951847 0.82 NR1H2 (0.38) NR1H2CA12CA9NR1H3ALDH1A1
SCHEMBL15727386 0.82 USP30 (0.43) NR1H2CA12CA9NR1H3
SCHEMBL513258 0.81 NR1H2 (0.45) NR1H2CA12CA9NR1H3KDM4E

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
EP-1773330-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-05-26 — — EP disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 — — US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 — — US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 — — 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-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use GLP1R, GCGR, GPR119 NR1H2 326/4885MAP2K4 3167/4885MAPT 4623/4885

“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.