Sugi Predict

Sugi Predict / Compounds / SCHEMBL606575

SCHEMBL606575

SCHEMBL606575

CC(C)(C)OC(=O)NC(Cn1cccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.44
▸ PPARG P37231 5/20 0.44
▸ ACE P12821 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ CTSK P43235 7/20 0.42
▸ CTSS P25774 5/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ ITGA4 P13612 2/20 0.40
▸ ITGB7 P26010 2/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ FDPS P14324 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39

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
SCHEMBL10246509 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL6739624 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL20263054 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL20263052 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL24109023 0.88 NLRP3 (0.36) PPARAPPARGACEPPARDCTSK
SCHEMBL28853919 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL1033716 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL304552 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL304551 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL14737322 0.84 FDPS (0.41) CTSKCTSSFDPSNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 — — US disclosed
US-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 — — US disclosed
EP-2861604-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-01 — — EP disclosed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 — — EP disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 — — CN disclosed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 — — US disclosed
CN-101120006-A Proteasome inhibitors and methods of using the same CEPHALON INC (US) 2008-02-06 — — CN disclosed
EP-1846424-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2007-10-24 — — EP disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 — — US disclosed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 — — WO disclosed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 — — EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 — — US disclosed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 — — WO disclosed
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 — — US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 — — 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 (7 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-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PPARA 3984/4885PPARG 3591/4885ACE 15/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PPARA 3322/4885PPARG 3927/4885ACE 942/4885
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 PPARA 3785/4885PPARG 3282/4885ACE 2392/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 PPARA 4051/4885PPARG 3651/4885ACE 25/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PPARA 3300/4885PPARG 3894/4885ACE 959/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 PPARA 3859/4885PPARG 3553/4885ACE 2827/4885
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS PPARA 1419/4885PPARG 979/4885ACE 17/4885

“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.