SCHEMBL8058385

SCHEMBL8058385

O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.69
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
CYP2C8 P10632 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL14349726 0.87 HCAR2 (0.68) HCAR2
SCHEMBL22497429 0.86 KDM4E (0.74) HCAR2POLBGAA
SCHEMBL27546747 0.86 HCAR2 (0.60) HCAR2POLBGAA
SCHEMBL10497116 0.86 HCAR2 (0.78) HCAR2CYP2C8CYP2C9
SCHEMBL27521425 0.85 HCAR2 (0.92) HCAR2POLBCYP2C8CYP2C9
SCHEMBL29403073 0.85 HCAR2 (0.92) HCAR2CYP2C8CYP2C9
SCHEMBL4330597 0.85 HCAR2 (0.92) HCAR2CYP2C8CYP2C9
SCHEMBL31060511 0.83 HCAR2 (0.89) HCAR2CYP2C8CYP2C9
SCHEMBL28724000 0.83 HCAR2 (0.89) HCAR2CYP2C8CYP2C9
SCHEMBL12671515 0.83 HCAR2 (0.89) HCAR2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1273579-A Anthranilic acid analogs AMERICAN HOME PROD (US) 2000-11-15 CN claimed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US claimed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP claimed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US claimed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO claimed
CN-111763164-B Preparation method and application of ortho-carbonyl amino substituted benzene derivatives 中国医学科学院药物研究所 2023-03-10 CN disclosed
CN-111763164-A Preparation method and application of ortho-carbonyl amino substituted benzene derivatives 中国医学科学院药物研究所 2020-10-13 CN disclosed
WO-2020199945-A1 ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院药物研究所 2020-10-08 WO disclosed
WO-2020199945-A1 ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院药物研究所 2020-10-08 WO disclosed
CN-1273579-A Anthranilic acid analogs AMERICAN HOME PROD (US) 2000-11-15 CN disclosed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed