SCHEMBL4945924

SCHEMBL4945924

Cc1ccc(NC(=O)OC(C)(C)C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP17A1 P05093 2/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
POLB P06746 2/20 0.43
PSMB8 P28062 1/20 0.43

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
SCHEMBL4700051 0.87 CA12 (0.56) CA12CA1CA9ALDH1A1CYP2D6
SCHEMBL29757277 0.87 CA12 (0.56) CA12CA1CA9ALDH1A1CYP2D6
SCHEMBL28423282 0.87 CA12 (0.51) CA12CA1CA9ALDH1A1CYP2D6
SCHEMBL13197992 0.87 CA12 (0.58) CA12CA1CA9ALDH1A1CYP1A2
SCHEMBL20865561 0.84 ALDH1A1 (0.56) CA12CA1CA9ALDH1A1CYP1A2
SCHEMBL13055401 0.84 CA12 (0.49) CA12CA1CA9ALDH1A1CYP2D6
SCHEMBL11518967 0.83 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL714227 0.83 CA12 (0.54) CA12CA1CA9ALDH1A1GAA
SCHEMBL5744348 0.83 CA12 (0.48) CA12CA1CA9ALDH1A1GAA
SCHEMBL12145454 0.83 CA1 (0.48) CA12CA1CA9ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025231152-A1 COMPOUNDS AND METHODS FOR RESTORING BETA-ADRENERGIC RECEPTOR FUNCTION THE CLEVELAND CLINIC FOUNDATION (US) 2025-11-06 WO disclosed
US-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-09-16 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (6 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-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof JAK2, JAK1, JAK3 CA12 3047/4885CA1 3248/4885CA9 2036/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA CA12 4456/4885CA1 4159/4885CA9 3680/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 CA12 3047/4885CA1 3248/4885CA9 2036/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 CA12 3047/4885CA1 3248/4885CA9 2036/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX CA12 271/4885CA1 246/4885CA9 587/4885
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME NRAS, SFPQ, TYR CA12 4577/4885CA1 4552/4885CA9 3300/4885

“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.