Sugi Predict

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SCHEMBL3512796

SCHEMBL3512796

Cc1ccc(S(=O)(=O)OCCN(C[C@@H](C)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CNR2 P34972 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 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
SCHEMBL3539599 1.00 MAPT (0.43) MAPTHTTALDH1A1MAPK1GLA
SCHEMBL9052588 0.90 MAPT (0.42) MAPTHTTALDH1A1MAPK1GLA
SCHEMBL9052583 0.90 MAPT (0.42) MAPTHTTALDH1A1MAPK1GLA
SCHEMBL9052348 0.88 GLA (0.40) MAPTHTTALDH1A1MAPK1GLA
SCHEMBL9051870 0.88 MAPT (0.45) MAPTHTTALDH1A1MAPK1GLA
SCHEMBL2335489 0.86 GLA (0.50) MAPTHTTGLALMNACNR2
SCHEMBL9593490 0.85 GLA (0.46) HTTALDH1A1GLALMNACNR2
SCHEMBL6443129 0.84 GLA (0.49) MAPTHTTGLALMNACNR2
SCHEMBL15144440 0.81 CA9 (0.50) HTTALDH1A1GLALMNACNR2
SCHEMBL8751226 0.80 GLA (0.42) ALDH1A1GLACNR2L3MBTL1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — 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 (1 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 MAPT 4023/4885HTT 2118/4885ALDH1A1 3244/4885

“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.