SCHEMBL12180447

SCHEMBL12180447

COc1cc(C)ccc1S(=O)(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCOLN3 Q8TDD5 1/20 0.53
▸ ACHE P22303 1/20 0.48
▸ MEP1B Q16820 1/20 0.48
▸ ALPL P05186 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL14520037 0.86 KMT2A (0.57) ACHEKMT2AUSP2GAASMN1; SMN2
SCHEMBL20364526 0.81 GAA (0.49) ACHEKMT2AUSP2GAAMAPK1
SCHEMBL12888826 0.79 MCOLN3 (0.57) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL28325511 0.78 MCOLN3 (0.49) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL16360367 0.78 TP53 (0.47) ALPLKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL13290903 0.78 MCOLN3 (0.55) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL6367227 0.78 MCOLN3 (0.55) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL51171 0.78 MCOLN3 (0.55) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL533956 0.78 TRPV4 (0.68) MCOLN3ACHEMEP1BALPLKMT2A
SCHEMBL29469916 0.78 MCOLN3 (0.55) MCOLN3ACHEMEP1BALPLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 — — US disclosed
WO-2019165114-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MONTANA (US) 2019-08-29 — — WO disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 — — WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — 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 (4 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 MCOLN3 2233/4885ACHE 725/4885MEP1B 1899/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 MCOLN3 2233/4885ACHE 725/4885MEP1B 1899/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 MCOLN3 514/4885ACHE 520/4885MEP1B 1971/4885
US-11912736-B2 Diaryl trehalose compounds and uses thereof TREH, STT3B, DDOST MCOLN3 1186/4885ACHE 616/4885MEP1B 2855/4885

“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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