SCHEMBL1422207

SCHEMBL1422207

CS(=O)(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 1/20 0.56
POLB P06746 1/20 0.55
CYP26A1 O43174 4/20 0.53
CYP26B1 Q9NR63 1/20 0.53
KEAP1 Q14145 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
FABP4 P15090 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL6560601 0.88 HPGD (0.58) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL11195052 0.85 HPGD (0.63) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL9028983 0.84 HPGD (0.61) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL4149990 0.84 HPGD (0.61) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL1421898 0.84 HPGD (0.65) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL397628 0.83 HPGD (0.56) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL23647680 0.82 SMN1; SMN2 (0.59) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL13545194 0.82 KDM4E (0.59) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL1574068 0.82 KDM4E (0.65) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL657740 0.82 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534451-B2 Small molecule modulators of PanK ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2026-01-27 US disclosed
CN-113666853-B Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2023-04-18 CN disclosed
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
EP-3946312-A2 SMALL MOLECULE MODULATORS OF PANK St. Jude Children's Research Hospital (US) 2022-02-09 EP disclosed
CN-113666853-A Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-11-19 CN disclosed
CN-112920180-A Glutaminase inhibitors 理森制药股份公司 2021-06-08 CN disclosed
CN-108863850-B Biaryl compound and preparation method and application thereof 复旦大学 2021-05-18 CN disclosed
CN-105960405-B Glutaminase inhibitors 理森制药股份公司 2021-02-19 CN disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed
WO-2002026722-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
WO-2002016319-A1 NOVEL THIOUREA COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
CN-1284941-A Novel antiarrhythmic compounds PHARMACEUTICAL RES INST PUBLIC (HU) 2001-02-21 CN disclosed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP disclosed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO disclosed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed
US-4855314-A VASOCONTRICTORS, TREATMENT OF MIGRAINES, 3-(AMINO-ETHYL)-5-(PHENYL(ALKYL)-CARBONYL OR SULFONYL-AMINOALKYL SUBSTITUTED GLAXO GROUP LIMITED (GB) 1989-08-08 US disclosed
EP-0240096-A1 Indole derivatives having a selective vasoconstrictor activity GLAXO GROUP LIMITED (GB) 1987-10-07 EP 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 (2 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-12534451-B2 Small molecule modulators of PanK PANK2, PANK1, PANK3 ALDH1A1 3157/4885HPGD 539/4885KDM4E 2808/4885
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 ALDH1A1 4174/4885HPGD 825/4885KDM4E 2487/4885

“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.