SCHEMBL11951548

SCHEMBL11951548

CC(C)c1ccc(S(=O)(=O)CC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 1/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL30025785 0.86 GLP1R (0.41) GLP1RMCOLN3MMP2MMP9MMP14
SCHEMBL16799901 0.82 PTGS1 (0.50) HTR2ALMNASLC6A9
SCHEMBL30026793 0.80 EPHX1 (0.47) GLP1RALDH1A1MMP2MMP9MMP14
SCHEMBL24721508 0.80 RXRA (0.48) GLP1RKCNH2MMP2MMP14SLC6A9
SCHEMBL18685281 0.80 AOC2 (0.38) GLP1RMCOLN3KCNH2MMP2MMP9
SCHEMBL1782820 0.79 CRBN (0.55) ALDH1A1GAAACHE
SCHEMBL10180779 0.78 GAA (0.59) MCOLN3MAPTKDM4EALDH1A1LMNA
SCHEMBL12695032 0.77 GLP1R (0.44) GLP1RKCNH2MMP2MMP9MMP14
SCHEMBL16852266 0.77 EPHX2 (0.38) GLP1RMCOLN3MAPTALDH1A1LMNA
SCHEMBL14132487 0.77 MCOLN3 (0.73) MCOLN3ALDH1A1LMNAHDAC3HDAC4

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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 — — WO disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 — — US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — 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 (3 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK GLP1R 2631/4885MCOLN3 4331/4885HTR2A 3550/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 GLP1R 937/4885MCOLN3 2018/4885HTR2A 756/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 GLP1R 1481/4885MCOLN3 754/4885HTR2A 552/4885

“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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