SCHEMBL22095064

SCHEMBL22095064

CC(C)Cc1ccc2cc(CO)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ APP P05067 2/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ NOS3 P29474 1/20 0.33

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
SCHEMBL22095464 0.84 CYSLTR1 (0.41) CYSLTR1GPBAR1HSD17B10APPCYP1A2
SCHEMBL22095235 0.84 PDE10A (0.37) GPBAR1PDE10AALOX5APCYP1A2GABRA1
SCHEMBL9697024 0.81 CYSLTR1 (0.42) CYSLTR1GPBAR1HSD17B10PDE10AAPP
SCHEMBL22095534 0.81 PDE10A (0.40) CYSLTR1GPBAR1PDE10AALOX5APCYP1A2
SCHEMBL19513121 0.81 PDE10A (0.36) PDE10AALOX5APCYP1A2NOS3NOS1
SCHEMBL22110467 0.79 DPP4 (0.47) CYSLTR1CYP1A2CYSLTR2
SCHEMBL24219858 0.77 CYSLTR1 (0.40) CYSLTR1GPBAR1HSD17B10APPALOX5AP
SCHEMBL22095444 0.77 HSD17B10 (0.39) CYSLTR1GPBAR1HSD17B10APPCYP1A2
SCHEMBL22094948 0.77 BACE1 (0.49) PDE10ACYP1A2NOS3NOS1NOS2
SCHEMBL22095112 0.75 GRM1 (0.39) HSD17B10PDE10AGABRA1GABRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-05-06 — — US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — WO disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — 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 (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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 CYSLTR1 2309/4885GPBAR1 3974/4885HSD17B10 117/4885
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 SULT1A1, SULT2A1, SULT1E1 CYSLTR1 2309/4885GPBAR1 3974/4885HSD17B10 117/4885

“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.

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