Sugi Predict

Sugi Predict / Compounds / SCHEMBL2178313

SCHEMBL2178313

SCHEMBL2178313

CN(C)C(=O)C(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ DRD4 P21917 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NFKB1 P19838 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ PMP22 Q01453 1/20 0.30

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
SCHEMBL16944043 0.84 ALDH1A1 (0.39) TSHRALDH1A1CYP2C19DRD4OPRM1
SCHEMBL13544790 0.77 ALDH1A1 (0.33) TSHRALDH1A1NFKB1THPOHSD17B10
SCHEMBL10748401 0.74 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL3654085 0.74 ALDH1A1 (0.32) TSHRALDH1A1KMT2AMAPTPMP22
SCHEMBL1106444 0.74 — —
SCHEMBL52160 0.73 — —
SCHEMBL16240764 0.72 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL16240669 0.70 — —
SCHEMBL10729242 0.70 LMNA (0.37) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL107651 0.70 TSHR (0.53) TSHRALDH1A1CYP2C19CYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527572-B1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF SHENZHEN BO LI JIAN MEDICINE CO LTD (CN) 2021-12-22 — — EP claimed
EP-2326624-B1 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2015-10-07 — — EP claimed
US-20090318714-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-24 — — US claimed
EP-1948592-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-07-30 — — EP claimed
WO-2007054254-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-05-18 — — WO claimed
EP-0091778-B1 IMPROVEMENT IN OR RELATING TO AROMATIC POLYAMIDE FILM TEIJIN LIMITED (JP) 1987-12-09 — — EP claimed
WO-2022262855-A1 MALT1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2022-12-22 — — WO disclosed
CN-114787239-A Composition for forming pattern 日产化学株式会社 2022-07-22 — — CN disclosed
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 — — EP disclosed
EP-2513108-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 — — EP disclosed
US-8044058-B2 Merocyanine derivatives BASF SE (DE) 2011-10-25 — — US disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 — — WO disclosed
US-20100209466-A1 MEROCYANINE DERIVATIVES CIBA CORPORATION 2010-08-19 — — US disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 — — US disclosed
WO-2006003094-A2 MEROCYANINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-12 — — WO disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 — — US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 — — US disclosed
US-20030149083-A1 Phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-08-07 — — US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 — — EP disclosed
EP-0014470-B1 BENZAZEPINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-10 — — EP 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-20030149083-A1 Phenylalanine derivatives ITGB4, ITGA4, ITGB3 TSHR 2344/4885ALDH1A1 1471/4885CYP2C19 4182/4885
US-20100209466-A1 MEROCYANINE DERIVATIVES CCR7, OR10J3, CA7 TSHR 96/4885ALDH1A1 3183/4885CYP2C19 1869/4885
US-20090318714-A1 ORGANIC COMPOUNDS REN, AGTR1, ACE TSHR 3001/4885ALDH1A1 458/4885CYP2C19 175/4885
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL TSHR 1456/4885ALDH1A1 912/4885CYP2C19 3954/4885

“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.