SCHEMBL497097

SCHEMBL497097

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
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
Carbamic Acid SCHEMBL3591976 0.91 ACHE (0.41) TSHRALDH1A1
SCHEMBL2876460 0.78
SCHEMBL5523766 0.78
SCHEMBL14778273 0.78
SCHEMBL22319333 0.76 KDM4E (0.38)
SCHEMBL20983462 0.76
SCHEMBL2497339 0.76 RIPK1 (0.32)
SCHEMBL19473677 0.74 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL16760834 0.74
SCHEMBL1979249 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101983198-A Pyrido [4, 3-d] pyrimidinone derivatives as kinase inhibitors IRM LLC 2011-03-02 CN claimed
CN-110382470-B Preparation method of efavirenz 纳尔逊·曼德拉都市大学 2023-06-06 CN disclosed
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed
US-20220185810-A1 Novel Process for the Preparation of Filgotinib and Intermediates Thereof UNICHEM LABORATORIES LIMITED (IN) 2022-06-16 US disclosed
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 US disclosed
EP-3947381-A2 NOVEL PROCESS FOR THE PREPARATION OF FILGOTINIB AND INTERMEDIATES THEREOF Unichem Laboratories Ltd (IN) 2022-02-09 EP disclosed
CN-113677676-A Novel method for preparing non-gautinib and intermediate thereof 联合化学实验室有限公司 2021-11-19 CN disclosed
CN-113613724-A Compounds useful in HIV therapy 葛兰素史克知识产权开发有限公司 2021-11-05 CN disclosed
CN-113444111-A Novel benzodiazepine derivative and use thereof 尹图赛利有限公司 2021-09-28 CN disclosed
US-5523407-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS, FOR TREATING OR PREVENTING HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
US-5362742-A Acyl CoA: cholesterol acyltransferase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-08 US disclosed
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US disclosed
EP-0505565-B1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-27 EP disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
EP-0505565-A1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-09-30 EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
WO-1991009017-A1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-27 WO disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 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 (2 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-20220185810-A1 Novel Process for the Preparation of Filgotinib and Intermediates Thereof ABL1, JAK1, JAK3 TSHR 868/4885ALDH1A1 3728/4885HMGCR 1994/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 TSHR 3913/4885ALDH1A1 3245/4885HMGCR 2166/4885

“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.