SCHEMBL283084

SCHEMBL283084

Cc1ccc(S(=O)(=O)OCCCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
PSMD10 O75832 1/20 0.40
CYP24A1 Q07973 2/20 0.39
STAT3 P40763 1/20 0.39
GAA P10253 1/20 0.38
MGAT2 Q10469 1/20 0.38
MAOB P27338 1/20 0.38
G6PD P11413 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VDR P11473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4049984 0.95 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL13886464 0.90 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL283201 0.90 CA12 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL15270828 0.89 CA12 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL2348771 0.88 PSMD10 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL20128922 0.86 CYP24A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL19069752 0.85 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL14795273 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL483847 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL890725 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995011232-A1 NOVEL SPIN-TRAP MOLECULE 2-TRIFLUOROMETHYL-DMPO OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-27 WO claimed
WO-2025119254-A1 METHOD FOR PREPARING DIHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-12 WO disclosed
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 EP disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 US disclosed
US-20240132432-A1 FLUORINE-CONTAINING PILLARARENE KYOTO UNIVERSITY (JP) 2024-04-25 US disclosed
EP-4357330-A1 FLUORINE-CONTAINING PILLARARENE Kyoto University (JP) 2024-04-24 EP disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
US-10858322-B2 Process for preparing 1-isobutyryl-1′-((1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1H-benzo[D]imidazol-2-yl)methyl)spiro[azetidine-3,3′-indolin]-2′-one SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2020-12-08 US disclosed
US-10858322-B2 Process for preparing 1-isobutyryl-1′-((1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1H-benzo[D]imidazol-2-yl)methyl)spiro[azetidine-3,3′-indolin]-2′-one SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2020-12-08 US disclosed
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
WO-2015028960-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-03-05 WO disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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 (6 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 ALDH1A1 2598/4885CYP3A4 484/4885CYP2C9 1779/4885
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 1940/4885CYP3A4 1027/4885CYP2C9 1638/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 1940/4885CYP3A4 1027/4885CYP2C9 1638/4885
US-20240132432-A1 FLUORINE-CONTAINING PILLARARENE FOXK1, FXR1, AFF1 ALDH1A1 189/4885CYP3A4 344/4885CYP2C9 483/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 ALDH1A1 2598/4885CYP3A4 484/4885CYP2C9 1779/4885
US-10858322-B2 Process for preparing 1-isobutyryl-1′-((1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1H-benzo[D]imidazol-2-yl)methyl)spiro[azetidine-3,3′-indolin]-2′-one CYP1B1, CYP4B1, HTR1B ALDH1A1 177/4885CYP3A4 13/4885CYP2C9 5/4885

“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.