Sugi Predict

Sugi Predict / Compounds / SCHEMBL743576

SCHEMBL743576

SCHEMBL743576

CC(C)(C)N1CC[C@@H](NC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ SSTR4 P31391 2/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL1265815 1.00 CTSK (0.39) CTSKALDH1A1LMNANPSR1EPHX2
SCHEMBL1487188 1.00 CTSK (0.39) CTSKALDH1A1LMNANPSR1EPHX2
SCHEMBL475538 0.89 CA1 (0.42) CTSKALDH1A1EPHX2CA12CA1
SCHEMBL1061969 0.89 CA1 (0.42) CTSKALDH1A1EPHX2CA12CA1
SCHEMBL612827 0.89 CA1 (0.42) CTSKALDH1A1EPHX2CA12CA1
SCHEMBL853181 0.89 ALDH1A1 (0.42) ALDH1A1LMNANPSR1EPHX2MEN1
SCHEMBL1564567 0.88 SIGMAR1 (0.41) ALDH1A1EPHX2CA12CA1CA2
SCHEMBL28509408 0.88 SIGMAR1 (0.41) ALDH1A1EPHX2CA12CA1CA2
SCHEMBL8222149 0.85 CA1 (0.44) CTSKALDH1A1EPHX2CA12CA1
SCHEMBL12227429 0.85 CA1 (0.44) CTSKALDH1A1EPHX2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108947-B2 Inhibitors of the Renal Outer Medullary Potassium channel MERCK SHARP & DOHME CORP. (US) 2015-08-18 — — US disclosed
US-20140275020-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-09-18 — — US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 — — US disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 — — EP disclosed
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 — — EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 — — EP disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 — — EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 — — US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 — — WO disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 — — EP disclosed
US-7879863-B2 Kallikrein inhibitors such as N-((2R)-3-methyl-2-{[4-(trifluoromethyl)phenyl]amino}butyl)-2-phenylacetamide trifluoroacetate, used for the treatment of gastrointestinal disorders, periodontal diseases, skin disorders, arthritis, hypotension, edema, respiratory system disorders and proliferative diseases AJINOMOTO CO., INC. (JP) 2011-02-01 — — US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 — — EP disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 — — US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 — — US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 — — US disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 — — US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 — — 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 (6 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 CTSK 1517/4885ALDH1A1 2081/4885LMNA 4787/4885
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CTSK 3773/4885ALDH1A1 745/4885LMNA 4534/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CTSK 191/4885ALDH1A1 320/4885LMNA 988/4885
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 CTSK 1578/4885ALDH1A1 2586/4885LMNA 2907/4885
US-20140275020-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CTSK 1024/4885ALDH1A1 1757/4885LMNA 1138/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTSK 4083/4885ALDH1A1 2447/4885LMNA 4263/4885

“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.