Sugi Predict

Sugi Predict / Compounds / SCHEMBL12452003

SCHEMBL12452003

SCHEMBL12452003

CC(C)(C)OC(=O)NCCC(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.52
▸ CTSS P25774 4/20 0.51
▸ CTSK P43235 4/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ ANPEP P15144 2/20 0.47
▸ RNPEP Q9H4A4 2/20 0.47
▸ DNPEP Q9ULA0 2/20 0.47
▸ ACE P12821 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ LAP3 P28838 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ PAX8 Q06710 1/20 0.46

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
SCHEMBL3604545 0.86 MMP2 (0.58) IDO1CTSSCTSKCTSLCTSB
SCHEMBL2548977 0.86 MMP2 (0.58) IDO1CTSSCTSKCTSLCTSB
SCHEMBL2548981 0.86 MMP2 (0.58) IDO1CTSSCTSKCTSLCTSB
SCHEMBL3586431 0.85 PPARA (0.55) IDO1CTSSCTSKCTSLCTSB
SCHEMBL4729460 0.84 MEN1 (0.58) IDO1CTSSCTSKCTSLCTSB
SCHEMBL20582603 0.83 CTSS (0.53) IDO1CTSSCTSKCTSLCTSB
SCHEMBL20582604 0.83 CTSS (0.53) IDO1CTSSCTSKCTSLCTSB
SCHEMBL29143518 0.82 CA1 (0.47) IDO1CTSSCTSKCTSLCTSB
SCHEMBL10129457 0.82 ATM (0.64) CTSSCTSKCTSLCTSBATM
SCHEMBL3177936 0.82 IDO1 (0.50) IDO1CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 — — US disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 — — US disclosed
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 — — US disclosed
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 — — US disclosed
US-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 — — US disclosed
US-9272984-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-9139516-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY NOVARTIS AG (CH) 2015-06-04 — — US disclosed
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY NOVARTIS AG (CH) 2015-06-04 — — US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 — — US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 — — CN disclosed
WO-2010006085-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2010-01-14 — — WO disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 — — US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 — — US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 — — US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 — — US disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 — — 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 (8 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-20080194569-A1 Phthalazinones RB1, H1-3, H1-2 IDO1 1935/4885CTSS 3253/4885CTSK 2503/4885
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 IDO1 1248/4885CTSS 1420/4885CTSK 1012/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 IDO1 1248/4885CTSS 1420/4885CTSK 1012/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 IDO1 1248/4885CTSS 1420/4885CTSK 1012/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 IDO1 2491/4885CTSS 2401/4885CTSK 1941/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 IDO1 1248/4885CTSS 1420/4885CTSK 1012/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 IDO1 1248/4885CTSS 1420/4885CTSK 1012/4885
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES FADS1, FASN, ALOX5 IDO1 1532/4885CTSS 2899/4885CTSK 2333/4885

“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.