SCHEMBL6180268

SCHEMBL6180268

CCCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.64
CASP6 P55212 1/20 0.62
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.57
PDK1 Q15118 1/20 0.56
AGTR1 P30556 1/20 0.54
AGTR2 P50052 1/20 0.54
APEX1 P27695 1/20 0.52

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
SCHEMBL27487118 0.91 HCAR3 (0.63) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL20757 0.90 PDK1 (0.68) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL8215974 0.89 HCAR3 (0.64) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL17399916 0.89 CASP6 (0.60) HCAR3CASP6TSHRLMNA
SCHEMBL7575190 0.88 HCAR3 (0.62) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL9779790 0.88 HCAR3 (0.62) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL28556477 0.87 PDK1 (0.56) HCAR3TSHRLMNAPDK1
SCHEMBL11749054 0.86 PDK1 (0.58) HCAR3CASP6TSHRPDK1AGTR1
SCHEMBL8092214 0.85 CASP6 (0.64) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL5913447 0.84 CASP6 (0.62) HCAR3CASP6TSHRLMNAPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226661-B2 Synthesis of quinones and phenols on solid support BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-06-05 US disclosed
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
EP-0912521-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER (US) 2005-04-06 EP disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
EP-0912558-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER (US) 2003-07-09 EP disclosed
CN-1112359-C Substituted indazole derivatives and their use as Phosphodiesterase (PDE) type IV and inhibitors of the production of Tumor Necrosis Factor (TNF) PFIZER (US) 2003-06-25 CN disclosed
CN-1422849-A indazole derivatives PFIZER (US) 2003-06-11 CN disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
CN-1223651-A Substituted indazole derivatives and their use as phosphodiesterase (PDE) type IV and tumor necrosis factor (TNF) inhibitors PFIZER (US) 1999-07-21 CN disclosed
CN-1217714-A Substituted indazole derivatives and their use as Phosphodiesterase (PDE) type IV and inhibitors of the production of Tumor Necrosis Factor (TNF) PFIZER (US) 1999-05-26 CN disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
EP-0912558-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1999-05-06 EP disclosed
EP-0912521-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 WO disclosed
EP-0816357-A1 Substituted indazole derivatives PFIZER INC. (US) 1998-01-07 EP disclosed
WO-1997049702-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed
WO-1997042174-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1997-11-13 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 (3 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 HCAR3 1026/4885CASP6 4038/4885TSHR 587/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM HCAR3 1898/4885CASP6 4094/4885TSHR 1420/4885
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A HCAR3 2248/4885CASP6 1852/4885TSHR 2835/4885

“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.