Sugi Predict

Sugi Predict / Compounds / SCHEMBL359513

SCHEMBL359513

SCHEMBL359513

CC(C)(C)OC(=O)Nc1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ CYP17A1 P05093 3/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KAT6A Q92794 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37

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
SCHEMBL359677 0.83 SMN1; SMN2 (0.48) —
SCHEMBL22590 0.81 CYP17A1 (0.50) NAMPTCYP17A1CA1CA12CA9
SCHEMBL21268384 0.80 CA12 (0.43) NAMPTCYP17A1HDAC3HDAC1HDAC2
SCHEMBL775002 0.79 NAMPT (0.56) NAMPTCYP17A1CA1CA12PSMB8
SCHEMBL2076593 0.78 L3MBTL1 (0.57) CA1CA12CA9CA2
SCHEMBL29029431 0.78 HDAC3 (0.56) NAMPTCYP17A1HDAC3HDAC1HDAC2
SCHEMBL1419617 0.77 MAPK1 (0.54) —
SCHEMBL2540830 0.77 HPGD (0.55) —
SCHEMBL6655436 0.77 PDK1 (0.44) —
SCHEMBL13055402 0.77 CYP17A1 (0.59) NAMPTCYP17A1CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 — — CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 — — EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US claimed
CN-105980386-A Pyrazolo compounds and uses thereof 基因泰克公司 2016-09-28 — — CN claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 — — US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 — — EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 — — US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 — — EP claimed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 — — CN claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO claimed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 — — US claimed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 — — US claimed
CN-118302204-A Macrocyclic compounds and diagnostic uses thereof 詹森生物科技公司 2024-07-05 — — CN disclosed
CN-118201925-A Macrocyclic compounds and methods of making the same 詹森生物科技公司 2024-06-14 — — CN disclosed
EP-0429366-B1 Isoindolone derivatives, their preparation and pharmaceutical compositions containing them RHONE POULENC SANTE (FR) 1994-03-16 — — EP disclosed
EP-0430771-A1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE-POULENC SANTE (FR) 1991-06-05 — — EP disclosed
EP-0429366-A1 Isoindolone derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1991-05-29 — — EP 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 NAMPT 1333/4885CYP17A1 4203/4885HDAC3 60/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B NAMPT 1790/4885CYP17A1 1101/4885HDAC3 46/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NAMPT 1864/4885CYP17A1 1761/4885HDAC3 222/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B NAMPT 1790/4885CYP17A1 1101/4885HDAC3 46/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NAMPT 1864/4885CYP17A1 1761/4885HDAC3 222/4885

“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.