Sugi Predict

Sugi Predict / Compounds / SCHEMBL741358

SCHEMBL741358

SCHEMBL741358

Nc1ncc(Br)cc1S(=O)(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ NPC1 O15118 1/20 0.55
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ SHMT2 P34897 1/20 0.48
▸ GAA P10253 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 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
SCHEMBL855559 0.94 HSD17B10 (0.61) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL859103 0.87 HSD17B10 (0.55) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL6118943 0.86 HSD17B10 (0.66) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL855587 0.85 HSD17B10 (0.74) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL856050 0.84 HSD17B10 (0.60) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL856051 0.84 HSD17B10 (0.60) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL856122 0.83 HSD17B10 (0.62) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL3764150 0.83 HSD17B10 (0.62) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL856121 0.83 HSD17B10 (0.62) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL27868726 0.82 HSD17B10 (0.61) HSD17B10KDM4ENPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 — — EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 — — US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
EP-2596793-A1 Quinoline derivatives as PI3 kinase inhibitors Glaxosmithkline LLC (US) 2013-05-29 — — EP disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2012-06-28 — — US disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — WO disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — 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 (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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A HSD17B10 4492/4885KDM4E 3548/4885NPC1 3641/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A HSD17B10 4492/4885KDM4E 3548/4885NPC1 3641/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HSD17B10 4327/4885KDM4E 3288/4885NPC1 3332/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HSD17B10 4327/4885KDM4E 3288/4885NPC1 3332/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HSD17B10 4327/4885KDM4E 3288/4885NPC1 3332/4885

“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.