Sugi Predict

Sugi Predict / Compounds / SCHEMBL1670965

SCHEMBL1670965

SCHEMBL1670965

CC(C)(C)OC(=O)NC1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 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
SCHEMBL6922861 0.98 MEN1 (0.39) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL31233594 0.94 MEN1 (0.39) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL29482981 0.90 MEN1 (0.41) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL24572117 0.81 RORC (0.39) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL26018305 0.81 RORC (0.39) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL24571423 0.80 CTSL (0.33) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL27646197 0.79 GAA (0.37) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL26017866 0.79 GAA (0.37) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL1865316 0.79 P2RX7 (0.38) GAAMEN1MAPK1KMT2ACTSL
SCHEMBL17520236 0.78 RORC (0.39) GAAMEN1MAPK1KMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028553-B Preparation method of chiral N-Boc/Cbz-cis- (1R, 2S) -cyclohexanediamine 上海瀚鸿科技股份有限公司 2024-03-26 — — CN disclosed
CN-115028553-A Preparation method of chiral N-Boc/Cbz-cis- (1R,2S) -cyclohexanediamine 上海瀚鸿科技股份有限公司 2022-09-09 — — CN disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
WO-2011050220-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-TRIFLUOROMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 — — WO disclosed
WO-2010094956-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED. (GB) 2010-08-26 — — WO disclosed
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 — — EP disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 — — US disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 — — US disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 — — US disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 — — EP disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 — — EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 — — WO disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 — — 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 (4 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885MEN1 2133/4885MAPK1 8/4885
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 GAA 2103/4885MEN1 3655/4885MAPK1 494/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885MEN1 2133/4885MAPK1 8/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GAA 3334/4885MEN1 2133/4885MAPK1 8/4885

“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.