SCHEMBL244134

SCHEMBL244134

Cc1ccc(S(=O)(=O)OCCC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL336340 0.93 ALDH1A1 (0.44) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL334939 0.93 ACHE (0.44) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL7026133 0.92 ALDH1A1 (0.46) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL3110871 0.90 CYP2D6 (0.41) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL766879 0.89 CA12 (0.41) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL13068833 0.89 HTR6 (0.48) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL13025640 0.89 ESR1 (0.42) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL9674450 0.88 CYP2D6 (0.56) CYP2D6CYP1A2ALDH1A1KMT2AACHE
SCHEMBL11848457 0.87 ESR1 (0.43) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL7067476 0.87 ALDH1A1 (0.40) CYP2D6CYP1A2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist Bugworks Research, Inc. (US) 2026-03-17 US disclosed
EP-4562019-A1 IP5 SUBSTITUTED COMPOUNDS Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
EP-4561585-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS FOR USE IN THE TREATMENT, INHIBITION OF PROGRESSION, AND PREVENTION OF ECTOPIC CALCIFICATION Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
US-20240109924-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS VIFOR (INTERNATIONAL) LTD. (CH) 2024-04-04 US disclosed
WO-2024023359-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS FOR USE IN THE TREATMENT, INHIBITION OF PROGRESSION, AND PREVENTION OF ECTOPIC CALCIFICATION SANIFIT THERAPEUTICS, S.A. (ES) 2024-02-01 WO disclosed
WO-2024023360-A1 IP5 SUBSTITUTED COMPOUNDS SANIFIT THERAPEUTICS, S.A. (ES) 2024-02-01 WO disclosed
EP-4284809-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS Sanifit Therapeutics S.A. (ES) 2023-12-06 EP disclosed
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
CN-116745304-A IP4-4,6 substituted derivative compounds 萨尼菲特治疗有限公司 2023-09-12 CN disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
CN-1756746-A 6-substituted nicotinamide derivatives as opioid receptor antagonists LILLY CO ELI (US) 2006-04-05 CN disclosed
WO-2006034446-A2 PYRIDINE DERIVATIVES FOR INHIBITING HUMAN STEAROYL-COA-DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
WO-2006034312-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS INHIBITORS OF STEAROYL-COA-DESATURASE (SCD) XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO disclosed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 CYP2D6 793/4885CYP1A2 749/4885CA12 4883/4885
US-20240109924-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS IPO4, TPX2, IPO9 CYP2D6 1766/4885CYP1A2 2236/4885CA12 1840/4885
US-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist ADORA1, ADORA3, ADORA2A CYP2D6 25/4885CYP1A2 168/4885CA12 2785/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 CYP2D6 62/4885CYP1A2 143/4885CA12 4282/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 CYP2D6 785/4885CYP1A2 636/4885CA12 4883/4885

“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.