SCHEMBL777214

SCHEMBL777214

Cc1ccc(S(=O)(=O)OC2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.63
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
ENPP3 O14638 2/20 0.46
ENPP1 P22413 2/20 0.46
ENPP2 Q13822 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.45
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 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
SCHEMBL11107669 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL9060935 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL8367865 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL23192021 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL361129 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL24250706 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL22621292 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL8370244 0.98 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL6198035 0.96 CYP2D6 (0.63) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL6198029 0.96 CYP2D6 (0.63) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240109863-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KPC PHARMACEUTICALS, INC (CN) 2024-04-04 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
EP-4273139-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2023-11-08 EP disclosed
US-20230192704-A1 MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF TEON THERAPEUTICS INC (US) 2023-06-22 US disclosed
CN-114685450-A 2-pyridone derivative, preparation method and medical application thereof 昆药集团股份有限公司 2022-07-01 CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-0659735-A1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-28 EP disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
CN-1084847-A Tetrahydrochysene butyl benzene orthobenzol diacid amide derivative and its preparation intermediate and manufacture method thereof and with its weedicide as effective constituent SAGAMI CHEM RES (JP) 1994-04-06 CN disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 EP disclosed
US-4454274-A Aminoplast curable coating compositions containing cycloaliphatic sulfonic acid esters as latent acid catalysts PPG INDUSTRIES, INC. (US) 1984-06-12 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 (3 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-20240109863-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF PTH1R, MC2R, TSHR CYP2D6 335/4885CYP1A2 510/4885ALDH1A1 1332/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CYP2D6 1233/4885CYP1A2 1053/4885ALDH1A1 1532/4885
US-20230192704-A1 MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF SLC16A3, SLC16A1, SLC16A8 CYP2D6 4392/4885CYP1A2 4633/4885ALDH1A1 810/4885

“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.