SCHEMBL5837968

SCHEMBL5837968

O=C(O)C(=O)n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ EGLN3 Q9H6Z9 1/20 0.41
▸ TBXAS1 P24557 9/20 0.40
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CYP24A1 Q07973 1/20 0.36
▸ ADH5 P11766 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
SCHEMBL618874 0.87 ALDH1A1 (0.43) ALDH1A1EGLN3TBXAS1FAAHMGLL
SCHEMBL173415 0.80 — —
SCHEMBL12667290 0.79 FAAH (0.41) ALDH1A1EGLN3TBXAS1FAAHMGLL
SCHEMBL10405960 0.79 CYP3A4 (0.39) ALDH1A1EGLN3TBXAS1FAAHMGLL
SCHEMBL25507691 0.79 CYP3A4 (0.39) ALDH1A1EGLN3TBXAS1FAAHMGLL
SCHEMBL28775118 0.78 — —
SCHEMBL29083648 0.78 — —
Bromide SCHEMBL28355066 0.78 — —
Strontium SCHEMBL2839675 0.78 — —
SCHEMBL29083659 0.78 — —

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 — — US claimed
EP-1150961-B1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-22 — — EP claimed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 — — US claimed
CN-1346349-A Pyrazoelcarboxylic acid derivatives, their preparation, pharmaceutical compositions containing SANOFI SYNTHELABO (FR) 2002-04-24 — — CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-104710305-B A kind of synthetic method of 2-(2-hydroxy phenyl)-2-fluoroacetic acid ester 常熟市联创化学有限公司 2016-08-17 — — CN disclosed
CN-104710305-A Synthetic method for 2-(2-hydroxyphenyl)-2-oxyacetate CHANGSHU LEAGUE CHEMICAL CO LTD 2015-06-17 — — CN disclosed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 — — US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 — — EP disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 — — US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 — — EP disclosed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 — — US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 — — EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 — — EP disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 — — EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 — — WO disclosed
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 — — 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 (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-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 ALDH1A1 546/4885EGLN3 2336/4885TBXAS1 737/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 ALDH1A1 546/4885EGLN3 2336/4885TBXAS1 737/4885

“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.

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