SCHEMBL1444280

SCHEMBL1444280

CC(C)(C)OC(=O)NC1CCCCC1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.44
CCR1 P32246 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL420232 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL1444279 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL1756657 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL14346489 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL169972 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL2560495 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL2563637 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL29046628 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A
SCHEMBL29046627 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A
SCHEMBL19217725 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
US-11807618-B2 Thiophene derivatives as antiviral agents ENYO PHARMA (FR) 2023-11-07 US disclosed
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
US-20220213053-A1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2022-07-07 US disclosed
EP-3562818-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2022-05-18 EP disclosed
EP-3984991-A1 METHOD FOR SYNTHESIZING ATORVASTATIN CALCIUM INTERMEDIATE BY USING MULTI-COMPONENT ONE-POT METHOD Zhejiang Hongyuan Pharma Co., Ltd (CN) 2022-04-20 EP disclosed
US-11279683-B2 Thiophene derivatives as antiviral agents ENYO PHARMA (FR) 2022-03-22 US disclosed
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 CN disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190352275-A1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2019-11-21 US disclosed
CN-1802375-A Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARM INC (US) 2006-07-12 CN disclosed
CN-1798729-A Benzamide nitrile derivatives HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
EP-1294679-B1 BETA-AMINO ACID NITRILE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-1294679-A1 BETA-AMINO ACID NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-26 EP disclosed
US-6462076-B2 CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020016361-A1 Beta-amino acid nitrile derivatives as cathepsin K inhibitors HOFFMANN-LA ROCHE INC. 2002-02-07 US disclosed
WO-2001096285-A1 BETA-AMINO ACID NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-20 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 (7 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-20220213053-A1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS MAVS, EIF2AK2, IRF3 BTK 1475/4885GAA 355/4885EPHX1 3631/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 BTK 710/4885GAA 983/4885EPHX1 2522/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 BTK 2786/4885GAA 93/4885EPHX1 1053/4885
US-20020016361-A1 Beta-amino acid nitrile derivatives as cathepsin K inhibitors CTSK, CTSH, UACA BTK 1065/4885GAA 150/4885EPHX1 2739/4885
US-11279683-B2 Thiophene derivatives as antiviral agents MAVS, EIF2AK2, IRF3 BTK 1364/4885GAA 238/4885EPHX1 3295/4885
US-20190352275-A1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS MAVS, EIF2AK2, IRF3 BTK 1364/4885GAA 238/4885EPHX1 3295/4885
US-11807618-B2 Thiophene derivatives as antiviral agents MAVS, EIF2AK2, IRF3 BTK 1475/4885GAA 355/4885EPHX1 3631/4885

“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.