SCHEMBL3626870

SCHEMBL3626870

C=CCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.59
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TLR9 Q9NR96 1/20 0.48
GAA P10253 2/20 0.48
C5AR1 P21730 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45

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
SCHEMBL2548723 1.00 CTSK (0.59) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
Chloromethane SCHEMBL27592976 0.96 CTSK (0.56) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
Cyclopropane SCHEMBL27624369 0.94 CTSK (0.54) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
Bicarbonate SCHEMBL27808442 0.93 CTSK (0.53) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11038225 0.83 CTSK (0.75) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11024014 0.81 CTSK (0.61) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1204934 0.80 CA2 (0.52) CTSKALDH1A1KMT2AMEN1GAA
SCHEMBL8835211 0.80 ALDH1A1 (0.62) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4012964 0.79 KMT2A (0.44) CTSKALDH1A1KMT2AMEN1CA1
SCHEMBL2148798 0.79 GAA (0.55) ALDH1A1CYP3A4CYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP claimed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US claimed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP claimed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US claimed
WO-2022093792-A1 ELECTROLYTE ADDITIVES CONTAINING ONE, TWO, OR MORE TRIPLE-BONDED MOIETIES FOR SILICON ANODE-BASED BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed
US-10173993-B2 Process for the synthesis of sulfones and sulfonamides COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-08 US disclosed
CN-106890114-A Topical compositions comprising Pichia anomala and chicory root extract 强生消费者公司 2017-06-27 CN disclosed
US-20170166542-A1 Process for the Synthesis of Sulfones and Sulfonamides COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-06-15 US disclosed
US-20170166542-A1 Process for the Synthesis of Sulfones and Sulfonamides COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-06-15 US disclosed
EP-3178811-A1 A PROCESS FOR THE SYNTHESIS OF SULFONES AND SULFONAMIDES COMMISSARIAT À L'ÉNERGIE ATOMIQUE ET AUX ÉNERGIES ALTERNATIVES (FR) 2017-06-14 EP disclosed
CN-103260706-B Composition comprising panlownin and/or Paulownia extract and application thereof 强生消费者公司 2017-06-13 CN disclosed
CN-106692029-A Topical gel cream composition 强生消费者公司 2017-05-24 CN disclosed
EP-0596325-A1 Optical element with Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed
EP-0380578-B1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-03-17 EP disclosed
US-5189199-A Process for the preparation of 1,4-disubstituted 2-butenes EASTMAN KODAK COMPANY (US) 1993-02-23 US disclosed
EP-0380578-A1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES. EASTMAN KODAK CO (US) 1990-08-08 EP disclosed
WO-1989002883-A1 A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES EASTMAN KODAK COMPANY (US) 1989-04-06 WO disclosed
EP-0027421-B1 PROCESS FOR THE PREPARATION OF UNSATURATED SULPHONES, AND SULPHONES OBTAINED ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1982-12-29 EP disclosed
US-4343952-A SULFONATION OF DIENE WITH SULFINATE, PALLADIUM CATALYST AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1982-08-10 US disclosed
EP-0051791-A1 2,2-Dimethylcyclobutanones and process for their preparation BAYER AG (DE) 1982-05-19 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-20170166542-A1 Process for the Synthesis of Sulfones and Sulfonamides STS, SULT2A1, TST CTSK 2076/4885ALDH1A1 2456/4885CYP3A4 511/4885
US-10173993-B2 Process for the synthesis of sulfones and sulfonamides STS, SULT2A1, TST CTSK 2076/4885ALDH1A1 2456/4885CYP3A4 511/4885

“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.