SCHEMBL3038765

SCHEMBL3038765

COc1cc(OC)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
PKM P14618 1/20 0.43
CYP3A4 P08684 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ESR1 P03372 2/20 0.39
PTGS2 P35354 2/20 0.39
ALOX5 P09917 2/20 0.39
CYP1A2 P05177 2/20 0.39
ABL1 P00519 1/20 0.39
TTR P02766 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL11881437 0.95 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL2852652 0.87 FFAR4 (0.42) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL28188557 0.87 RAPGEF4 (0.43) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL13584602 0.86 MAPT (0.38) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL18331985 0.86 FFAR4 (0.41) ALDH1A1CYP1A1CYP1B1PKMFFAR4
SCHEMBL19024616 0.86 CYP3A4 (0.38) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL31314383 0.86 MAPT (0.38) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
1,3,5-Trimethoxybenzene SCHEMBL2496933 0.85 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1PKMCYP3A4
SCHEMBL701972 0.81 CNR1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL16829550 0.80 PTGS1 (0.46) ALDH1A1PTGS2ALOX5TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ZOETIS LLC 2024-05-09 US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed
EP-4291555-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-12-20 EP disclosed
CN-116806218-A Sulfonamide and its use for the treatment of parasitic helminth infections and diseases 新基公司 2023-09-26 CN disclosed
WO-2022173727-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-08-18 WO disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20050148659-A1 Amidomethyl-substituted 2-(4-sulfonylamino)-3-hydroxy-3,4-dihydro-2H-chromen-6-yl compounds, a process and intermediates for their production, and pharmaceutical compositions containing them SOLVAY PHARMACEUTICALS GMBH (DE) 2005-07-07 US disclosed
WO-2005037780-A2 AMIDOMETHYL-SUBSTITUTED 2-(4-SULFONILAMINO)-3-HIDROXY-3,4-DIHYDRO-2H-CHROMIUM-6-YL-DERIVATIVES AND DRUGS CONTAINING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-04-28 WO disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 WO disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO disclosed
EP-0038458-B1 4-HYDROXY-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE, THEIR SALTS, THEIR PREPARATION AND THEIR UTILIZATION Dr. Karl Thomae GmbH (DE) 1983-09-21 EP disclosed
US-4404230-A ARTICIFIAL SWEETENERS DR. KARL THOMAE GMBH (DE) 1983-09-13 US disclosed
EP-0038458-A1 4-Hydroxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide, their salts, their preparation and their utilization Dr. Karl Thomae GmbH (DE) 1981-10-28 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 (5 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA ALDH1A1 1171/4885CYP1A1 1121/4885CYP1B1 1212/4885
US-20050004142-A1 Chemical compounds TIE1, KDR, TEK ALDH1A1 906/4885CYP1A1 1654/4885CYP1B1 535/4885
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ARSA, MRPS2, SULT2A1 ALDH1A1 1470/4885CYP1A1 453/4885CYP1B1 439/4885
US-20050148659-A1 Amidomethyl-substituted 2-(4-sulfonylamino)-3-hydroxy-3,4-dihydro-2H-chromen-6-yl compounds, a process and intermediates for their production, and pharmaceutical compositions containing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, CYP3A4 ALDH1A1 1020/4885CYP1A1 38/4885CYP1B1 41/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885CYP1A1 2708/4885CYP1B1 1462/4885

“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.