SCHEMBL321533

SCHEMBL321533

CC(C)(C)c1ccc(C(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARG P13631 5/20 0.47
▸ RARB P10826 4/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ TTR P02766 1/20 0.45
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 1/20 0.44
▸ RARA P10276 3/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ GLRA3 O75311 1/20 0.41
▸ GLRB P48167 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL31587755 1.00 RARG (0.47) RARGRARBNOTUMTTRRXRA
SCHEMBL29172075 0.87 ACE2 (0.53) RARGRARBNOTUMTTRRXRA
SCHEMBL30848138 0.87 ACE2 (0.53) RARGRARBNOTUMTTRRXRA
SCHEMBL16358452 0.83 NOTUM (0.46) NOTUMHTTTSHRKDM4ECA1
SCHEMBL1707584 0.83 NOTUM (0.46) RARGRARBNOTUMMEN1KMT2A
SCHEMBL13653068 0.82 RARB (0.51) RARGRARBRXRARXRBRXRG
SCHEMBL1811724 0.81 NOTUM (0.65) NOTUMTTRRXRARXRBRXRG
SCHEMBL29625081 0.81 NOTUM (0.65) NOTUMTTRRXRARXRBRXRG
SCHEMBL2240131 0.80 NOTUM (0.73) NOTUMMEN1KMT2AHTTTP53
SCHEMBL12839871 0.80 HDAC8 (0.48) NOTUMMEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 — — US disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 — — US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 — — US disclosed
CN-114773302-B Benzofuran derivative and medical application thereof 中国药科大学 2024-04-02 — — CN disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 — — US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 — — US disclosed
CN-114773302-A Benzofuran derivative and medical application thereof 中国药科大学 2022-07-22 — — CN disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 — — EP disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 — — EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 — — CN disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 — — US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 — — US disclosed
EP-1440069-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 — — EP disclosed
WO-2004060889-A1 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS GLAXO GROUP LIMITED (GB) 2004-07-22 — — WO disclosed
WO-2004037818-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2004-05-06 — — WO disclosed
WO-2003097646-A1 ACYL BICYCLIX DERIVATIVES OF PYRROL GLAXO GROUP LIMITED (GB) 2003-11-27 — — WO disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 — — US disclosed
WO-2003037895-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 — — WO disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 — — EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — 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 (7 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 RARG 3113/4885RARB 2459/4885NOTUM 4687/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 RARG 3096/4885RARB 2455/4885NOTUM 4676/4885
US-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 RARG 2517/4885RARB 2137/4885NOTUM 3603/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RARG 2641/4885RARB 2630/4885NOTUM 2286/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 RARG 3154/4885RARB 2544/4885NOTUM 4646/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR RARG 970/4885RARB 1563/4885NOTUM 2494/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 RARG 2430/4885RARB 1488/4885NOTUM 3017/4885

“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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