SCHEMBL908933

SCHEMBL908933

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL10472721 0.84 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL14888351 0.84 TSHR (0.33) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL17512250 0.82 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL410306 0.71 TSHR (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL623253 0.69
SCHEMBL966653 0.69
SCHEMBL4041835 0.69 ALDH1A1 (0.37) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL25449037 0.67
SCHEMBL10340509 0.67
Carbamic Acid SCHEMBL3591976 0.65 ACHE (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO claimed
WO-2025016323-A1 PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-23 WO disclosed
CN-118510515-A Pyridazindione-based double-heterocycle covalent linker, method and application thereof 信特生物有限责任公司 2024-08-16 CN disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
CN-115443134-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2022-12-06 CN disclosed
CN-115181164-A Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-10-14 CN disclosed
CN-115023610-A Novel linker compounds 剑桥实业有限公司 2022-09-06 CN disclosed
CN-109689107-B Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-08-16 CN disclosed
CN-114040781-A Formulation of conjugate of TUBULYSIN derivative and cell binding molecule 杭州多禧生物科技有限公司 2022-02-11 CN disclosed
WO-2005014530-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2005-02-17 WO disclosed
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
WO-2004082616-A2 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO. INC. (US) 2004-09-30 WO disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20030125573-A1 Method of vitamin production DCV, INC., D/B/A BIO-TECHNICAL RESOURCES 2003-07-03 US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
US-6410755-B1 FERMENTATION CULTURE; REDUCTION; FORMING TOCOPHEROL DCV, INC. 2002-06-25 US disclosed
US-6242227-B1 CULTURING MICROORGANISM TO PRODUCE GERANYLGERANIOL OR GERANYLGERANYL PHOSPHATE WHICH IS DEPHOSPHORYLATED TO GERANYLGERANIOL, THEN CHEMICALLY CONVERTING IN MULTISTEP CATALYTIC PROCESS TO ALPHA-TOCOPHEROL DCV, INC. 2001-06-05 US 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 (3 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF TSHR 2398/4885ALDH1A1 221/4885FFAR1 643/4885
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 TSHR 3414/4885ALDH1A1 1450/4885FFAR1 2887/4885
US-20030125573-A1 Method of vitamin production TTPA, FNTA, GGPS1 TSHR 1008/4885ALDH1A1 857/4885FFAR1 1557/4885

“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.