SCHEMBL2048495

SCHEMBL2048495

O=S(=O)(c1ccccc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.59
KCNH2 Q12809 4/20 0.56
HTR2C P28335 3/20 0.56
MAPT P10636 2/20 0.55
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 3/20 0.46
AKR1C3 P42330 2/20 0.45
DRD2 P14416 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
PLA2G7 Q13093 1/20 0.44

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
SCHEMBL777971 0.91 MAPT (0.56) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL7541817 0.91 HTR2A (0.56) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL16863988 0.89 HTR2A (0.56) HTR2AKCNH2HTR2CMAPTALDH1A1
SCHEMBL776544 0.89 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL11120903 0.89 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTALDH1A1
SCHEMBL776895 0.89 MAPT (0.55) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL17803 0.85 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL2100232 0.85 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTHTR6
Hydrochloric Acid SCHEMBL1021139 0.83 HTR2A (0.50) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL5704984 0.82 HTR2A (0.62) HTR2AKCNH2HTR2CHTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315224-B Cyclopentylacrylic acid amide derivative 杏林制药株式会社 2018-04-10 CN claimed
US-20260015314-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2026-01-15 US disclosed
US-12391641-B2 Prostaglandin EP4 receptor antagonist compounds Nxera Pharma UK Limitied (GB) 2025-08-19 US disclosed
EP-4256347-B1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2025-07-16 EP disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-118126080-A Chiral gamma-carbonyl phosphate derivative and preparation method and application thereof 武汉大学 2024-06-04 CN disclosed
CN-117165966-A Method for constructing N-thioether substituted sulfoxide imine derivative through electrochemical promotion 桂林理工大学 2023-12-05 CN disclosed
EP-4256347-A1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
US-20230314444-A1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-05 US disclosed
US-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 US disclosed
US-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 US disclosed
EP-1735275-A2 ARYL SULFONES AND USES RELATED THERETO Amgen Inc. (US) 2006-12-27 EP disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes AMGEN INC. 2005-12-15 US disclosed
WO-2005110980-A2 ARYL SULFONES AND USES RELATED THERETO AMGEN, INC. (US) 2005-11-24 WO disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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 (7 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A HTR2A 12/4885KCNH2 1464/4885HTR2C 2/4885
US-12391641-B2 Prostaglandin EP4 receptor antagonist compounds PTGER1, PTGER4, PTGER2 HTR2A 437/4885KCNH2 2675/4885HTR2C 495/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 HTR2A 1318/4885KCNH2 4662/4885HTR2C 1197/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 HTR2A 1444/4885KCNH2 4431/4885HTR2C 1155/4885
US-20260015314-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS PTGER4, PTGER1, PTGER3 HTR2A 848/4885KCNH2 1758/4885HTR2C 599/4885
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes HSD17B1, HSD3B1, HSD11B1 HTR2A 2114/4885KCNH2 3286/4885HTR2C 1640/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR2A 1532/4885KCNH2 58/4885HTR2C 634/4885

“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.