SCHEMBL1699135

SCHEMBL1699135

CC(C)(CC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL20902791 0.80 KDM4E (0.37) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL960674 0.80 KDM4E (0.40) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL18982663 0.79 TSHR (0.39) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL13544793 0.78 LMNA (0.38) TSHRCYP2C19CYP2D6HIF1AALDH1A1
Hydrochloric Acid SCHEMBL3350621 0.78 KDM4E (0.38) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL25269996 0.77 TSHR (0.46) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL83915 0.77 TSHR (0.60) TSHRCYP2C19CYP2D6HIF1AALDH1A1
Hydrochloric Acid SCHEMBL4137653 0.77 TSHR (0.60) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL573396 0.76 GGT1 (0.46) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL161722 0.76 GGT1 (0.46) TSHRCYP2C19CYP2D6HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 CN claimed
WO-2021074281-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS GIVAUDAN SA (CH) 2021-04-22 WO claimed
EP-1893582-B1 Compounds, their pharmaceutical compositions and their use in treating metabolic disorders AMGEN INC (US) 2011-12-14 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
JP-2000507091-A 2000-06-13 JP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
US-11603373-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-03-14 US disclosed
CN-115769835-A Application of butanedione in prolonging preservation time of harvested fresh horticultural products 山东农业大学 2023-03-10 CN disclosed
EP-4114523-A1 HETEROCYCLIC DERIVATIVES AS TRMP8 ANTAGONISTS Givaudan SA (CH) 2023-01-11 EP disclosed
CN-115521026-A Sewage treatment method for bioactive phosphorus and nitrogen 华邦古楼新材料有限公司 2022-12-27 CN disclosed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 CN disclosed
EP-1597259-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO 1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2005086661-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2005-09-22 WO disclosed
WO-2004072077-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSHLAND GMBH (DE) 2004-08-26 WO disclosed
CN-1431995-A Antipicornaviral compounds and compsns. their pharmaceutical uses, and materials for their synthesis AGOURON PHARMA (US) 2003-07-23 CN disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
EP-0681580-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES. PFIZER HOSPITAL PROD (US) 1995-11-15 EP disclosed
WO-1994017061-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER INC. (US) 1994-08-04 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 (1 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-11603373-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 TSHR 2253/4885CYP2C19 878/4885CYP2D6 343/4885

“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.