SCHEMBL489515

SCHEMBL489515

Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 1/20 0.45
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
KMO O15229 2/20 0.41
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C1 Q04828 2/20 0.40
BDKRB1 P46663 1/20 0.39
ROCK2 O75116 1/20 0.38
CSF1R P07333 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL18280624 0.89 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2ALOX5APFEN1
SCHEMBL18414568 0.87 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL6900070 0.85 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ALOX5APFEN1
SCHEMBL489579 0.82 BDKRB1 (0.45) SLC6A3SLC6A4SLC6A2BDKRB1
SCHEMBL12918620 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2AKR1C3AKR1C2
SCHEMBL17796995 0.80 ACMSD (0.53) AKR1C3AKR1C2KMOALOX5APFEN1
SCHEMBL517 0.80 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL18280481 0.80 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2ALOX5APFEN1
SCHEMBL18280416 0.79 L3MBTL1 (0.48) SLC6A3SLC6A4SLC6A2KMO
SCHEMBL6900241 0.79 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9221763-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-29 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 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 (4 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-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 SLC6A3 2826/4885SLC6A4 924/4885SLC6A2 874/4885
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 SLC6A3 4653/4885SLC6A4 4563/4885SLC6A2 4848/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN SLC6A3 336/4885SLC6A4 314/4885SLC6A2 259/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 SLC6A3 663/4885SLC6A4 316/4885SLC6A2 386/4885

“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.