SCHEMBL336891

SCHEMBL336891

CC(C)(C)OC(=O)c1ccc(F)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL14859175 0.88 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8738720 0.88 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3527402 0.83 CA12 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1756375 0.83 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL30469443 0.83 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL4022762 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
Hydrochloric Acid SCHEMBL21711861 0.81 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL30208191 0.80 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4208340 0.80 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2173855 0.80 CA12 (0.53) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605404-B Novel thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2024-01-05 CN disclosed
CN-114605404-A Novel thiazole-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-10 CN disclosed
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 US disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 US disclosed
US-7090828-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-08-15 US disclosed
US-6818201-B2 FOR ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; USEFUL FOR IMAGING ATHEROSCLEROSIS, RESTENOSIS, CARDIAC ISCHEMIA AND MYOCARDIAL REPERFUSION INJURY; THERAPY OF RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-16 US disclosed
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2004-01-22 US disclosed
US-6558649-B1 Benzodiazepine nonpeptide targeting moiety bound to chelating group; diagnosis and treatment of cancer; imaging tumors; monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-06 US disclosed
US-6548663-B1 Imaging tumors and cancer with radioisotope benzodiazepine metal complex as contrast agent BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (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-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION EPCAM, HDGF, DSC1 GABRA1 3279/4885GABRG2 3093/4885GABRB3 3931/4885
US-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL GABRA1 853/4885GABRG2 1311/4885GABRB3 1771/4885
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 GABRA1 2662/4885GABRG2 3028/4885GABRB3 2985/4885

“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.