SCHEMBL2885575

SCHEMBL2885575

O=C(O)c1cc(-c2cc(F)c(F)c(F)c2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 12/20 0.66
CA12 O43570 5/20 0.66
RPA1 P27694 1/20 0.66
TP53 P04637 1/20 0.62
CA9 Q16790 3/20 0.54
KDM4E B2RXH2 1/20 0.49
MARS1 P56192 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIN1 Q13526 1/20 0.47
HPGDS O60760 1/20 0.47

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
SCHEMBL28195524 0.83 ALPL (0.71) ALPLCA12RPA1TP53CA9
SCHEMBL3447352 0.79 ALPL (1.00) ALPLCA12RPA1TP53CA9
SCHEMBL2658851 0.77 ALPL (0.73) ALPLCA12RPA1TP53CA9
SCHEMBL726574 0.77 TP53 (1.00) ALPLCA12RPA1TP53CA9
SCHEMBL16701162 0.76 ALPL (0.70) ALPLCA12RPA1TP53CA9
SCHEMBL4384447 0.76 ALPL (0.64) ALPLCA12RPA1TP53CA9
SCHEMBL23803931 0.76 ALPL (0.73) ALPLCA12RPA1TP53CA9
SCHEMBL27758228 0.76 TP53 (0.71) ALPLCA12RPA1TP53CA9
SCHEMBL23780339 0.74 TP53 (0.64) ALPLCA12RPA1TP53CA9
SCHEMBL222852 0.74 TP53 (0.74) ALPLCA12RPA1TP53CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649009-B2 N-(trans-4-tert-butylcyclohexyl)-1-{4-[(1h-tetrazol-5-ylamino)carbonyl]benzyl }-3-(3,4,5-trifluoropbenyl)-1h-pyrazole-5-carboxamide; type 2 diabetes, hyperglycemia, diabetes or insulin resistance, Syndrome X, atherosclerosis MERCK & CO., INC. (US) 2010-01-19 US disclosed
EP-1765335-B1 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-11-25 EP disclosed
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. (US) 2007-08-30 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-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use AADAC, GOT2, GLS2 ALPL 2257/4885CA12 3231/4885RPA1 4267/4885

“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.