SCHEMBL6109448

SCHEMBL6109448

O=C(O)c1cc(CCF)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.45
HCAR2 Q8TDS4 2/20 0.45
ALPL P05186 9/20 0.44
CA12 O43570 4/20 0.44
RPA1 P27694 1/20 0.44
TP53 P04637 1/20 0.43
CA9 Q16790 2/20 0.41
PIN1 Q13526 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
SCHEMBL6111559 0.89 HCAR3 (0.43) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL16763221 0.88 HCAR3 (0.50) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL6110252 0.86 HCAR3 (0.47) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL6110959 0.85 ALPL (0.46) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL1092 0.81 HCAR3 (0.54) HCAR3HCAR2ALPLCA12TP53
SCHEMBL9700649 0.81 ALPL (0.46) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL6110281 0.81 HCAR3 (0.42) HCAR3HCAR2ALPLCA12RPA1
Hydrochloric Acid SCHEMBL31467460 0.80 HCAR3 (0.53) HCAR3HCAR2ALPLCA12TP53
SCHEMBL6109364 0.80 HCAR3 (0.44) HCAR3HCAR2ALPLCA12RPA1
SCHEMBL1527555 0.79 HCAR2 (0.53) HCAR3HCAR2ALPLCA12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ARENA PHARMACEUTICALS INC. (US) 2006-07-27 US disclosed
CN-1720046-A 5-substituted 2H-pyrazole-3-carboxylic acid derivatives as antilipolytic agents for the treatment of metabolic-related diseases such as dyslipidemia ARENA PHARM INC (US) 2006-01-11 CN disclosed
EP-1551403-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA Arena Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
WO-2004032928-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 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 (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-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ACE, ACE2, AGTR2 HCAR3 82/4885HCAR2 30/4885ALPL 1291/4885

“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.