Sugi Predict

Sugi Predict / Compounds / SCHEMBL835353

SCHEMBL835353

SCHEMBL835353

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.53
▸ ACE P12821 1/20 0.52
▸ CTSS P25774 5/20 0.51
▸ CTSK P43235 4/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KLK5 Q9Y337 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
SCHEMBL14738131 1.00 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL1991941 1.00 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL26824888 0.86 CNR2 (0.43) ATMACECTSSCTSKPPARA
SCHEMBL8209500 0.86 CYP17A1 (0.49) ATMACECTSSCTSKCTSL
SCHEMBL27839027 0.83 ACE (0.56) ATMACECTSSCTSKCTSL
SCHEMBL16171659 0.83 CTSK (0.61) ATMACECTSSCTSKCTSL
SCHEMBL6516027 0.83 ACE (0.70) ATMACECTSSCTSKCTSL
SCHEMBL31107900 0.82 SYK (0.54) ATMACECTSSCTSKCTSL
SCHEMBL14665422 0.82 KCNA5 (0.45) ATMACECTSSCTSKCTSL
SCHEMBL9508971 0.81 ACE (0.55) ATMACECTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221431-A1 DIPEPTIDOMIMETICS AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 — — US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 — — US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 — — US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 — — US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 — — US disclosed
CN-104024226-B Novel nicotinamide derivative or salt thereof FUJIFILM CORP. (JP) 2016-06-01 — — CN disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 — — EP disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 — — EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 — — US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 — — EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 — — 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 (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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 ATM 2353/4885ACE 472/4885CTSS 1557/4885
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ATM 741/4885ACE 4739/4885CTSS 597/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ATM 2353/4885ACE 472/4885CTSS 1557/4885
US-20180221431-A1 DIPEPTIDOMIMETICS AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES PREP, CTSC, DNPEP ATM 3338/4885ACE 81/4885CTSS 92/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ATM 750/4885ACE 4736/4885CTSS 598/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 ATM 2788/4885ACE 1936/4885CTSS 4028/4885

“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.