Sugi Predict

Sugi Predict / Compounds / SCHEMBL4031133

SCHEMBL4031133

SCHEMBL4031133

COc1c(N)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ PTK2 Q05397 4/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ FYN P06241 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL4056748 0.82 MAPK14 (0.37) MAPK14SMN1; SMN2KDM4EHSD17B10PIK3CA
SCHEMBL13843676 0.81 L3MBTL1 (0.40) MAPK14PTK2SMN1; SMN2KDM4EHSD17B10
SCHEMBL4495277 0.78 ALDH1A1 (0.33) HSD17B10ALDH1A1
SCHEMBL689597 0.72 L3MBTL1 (0.38) MAPK14BRD4ALOX5APFEN1SMN1; SMN2
SCHEMBL689712 0.72 MAPK14 (0.51) MAPK14
Hydrochloric Acid SCHEMBL1301953 0.71 MAPK14 (0.50) MAPK14
SCHEMBL1936083 0.71 MAPK14 (0.40) MAPK14BRD4PTK2ALOX5APFEN1
SCHEMBL1935707 0.69 MAPK14 (0.39) MAPK14BRD4PTK2ALOX5APFEN1
SCHEMBL690776 0.69 ADRB3 (0.37) MAPK14BRD4ALOX5APFEN1
SCHEMBL689580 0.69 USP2 (0.40) MAPK14BRD4ALOX5APFEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 — — EP claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US claimed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 — — US claimed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 — — EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 — — US disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 — — US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 — — EP disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 — — US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 — — WO disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 — — EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 — — WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 — — US disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 — — 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 (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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 MAPK14 2339/4885BRD4 1905/4885PTK2 436/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN MAPK14 1621/4885BRD4 1756/4885PTK2 1381/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A MAPK14 436/4885BRD4 2688/4885PTK2 1020/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A MAPK14 447/4885BRD4 1602/4885PTK2 795/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 MAPK14 2628/4885BRD4 1361/4885PTK2 402/4885

“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.