Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000664

SCHEMBL3000664

SCHEMBL3000664

COC(=O)C1(C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ JAK3 P52333 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ NR1H2 P55055 1/20 0.32

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
SCHEMBL3000663 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL10039817 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL24999580 0.95 JAK3 (0.39) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3267126 0.90 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL11954515 0.90 USP2 (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL11954522 0.90 USP2 (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31078891 0.90 USP2 (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL15125135 0.86 GRIN2B (0.46) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL14234512 0.86 GRIN2B (0.46) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL6632443 0.86 GRIN2B (0.46) GRIN2BGRIN2CJAK3USP2SMN1; SMN2

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-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 — — US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 — — EP disclosed
CN-116648452-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-08-25 — — CN disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 — — WO disclosed
CN-113999226-B Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-01-06 — — CN disclosed
CN-113999226-A Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2022-02-01 — — CN disclosed
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2021-05-27 — — US disclosed
US-10919851-B2 2-pyrrolidine phenylhydrazides antibacterial agents ABAC Therapeutics, S.L. (ES) 2021-02-16 — — US disclosed
US-10919851-B2 2-pyrrolidine phenylhydrazides antibacterial agents ABAC Therapeutics, S.L. (ES) 2021-02-16 — — US disclosed
EP-3490984-B1 2-PYRROLIDINE PHENYLHYDRAZIDES ANTIBACTERIAL AGENTS Abac Therapeutics Sl (ES) 2020-09-09 — — EP disclosed
WO-2009015254-A1 TRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 — — WO disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 — — CN disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 GRIN2B 3811/4885GRIN2C 4455/4885JAK3 1382/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GRIN2B 3759/4885GRIN2C 4378/4885JAK3 1496/4885
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS GRIN2B 3371/4885GRIN2C 3696/4885JAK3 1011/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GRIN2B 3900/4885GRIN2C 4510/4885JAK3 1565/4885
US-10919851-B2 2-pyrrolidine phenylhydrazides antibacterial agents ATAD2, ATAD2B, ATAD5 GRIN2B 2118/4885GRIN2C 2223/4885JAK3 4445/4885
US-20210155632-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885JAK3 4606/4885

“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.