SCHEMBL3564666

SCHEMBL3564666

Brc1cc(Br)cc(C2OCCO2)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL601887 0.85 GAA (0.30)
SCHEMBL6208359 0.85
SCHEMBL3574837 0.85 DRD3 (0.33)
SCHEMBL2160666 0.85 RAB9A (0.35)
SCHEMBL31367048 0.82 RAB9A (0.31)
SCHEMBL23802251 0.80 ALDH1A1 (0.34)
SCHEMBL19090992 0.80
SCHEMBL2160668 0.80 MEN1 (0.34)
SCHEMBL15458994 0.80 ACHE (0.30)
SCHEMBL12400054 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751826-A Phenyl-epoxy-pentane copolymer and preparation method and application thereof 链行走新材料科技(广州)有限公司 2025-04-04 CN disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
EP-3738953-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS WITH IMPROVED PHARMACOKINETIC PROPERTIES AND METHODS FOR THEIR MANUFACTURE Saint Louis University (US) 2020-11-18 EP disclosed
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2020-06-25 US disclosed
US-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2020-03-03 US disclosed
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2019-01-24 US disclosed
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2018-07-31 US disclosed
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2018-07-31 US disclosed
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2018-03-15 US disclosed
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2018-03-15 US disclosed
US-9085606-B2 Beta amino acid derivatives as integrin antagonists SAINT LOUIS UNIVERSITY (US) 2015-07-21 US disclosed
EP-2875021-A1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS Saint Louis University (US) 2015-05-27 EP disclosed
US-20140038910-A1 Beta Amino Acid Derivatives as Integrin Antagonists SAINT LOUIS UNIVERSITY (US) 2014-02-06 US disclosed
US-20140038910-A1 Beta Amino Acid Derivatives as Integrin Antagonists SAINT LOUIS UNIVERSITY (US) 2014-02-06 US disclosed
WO-2014015054-A1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2014-01-23 WO disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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 (8 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 CCNB2 1975/4885CDK1 1688/4885CCNB1 1329/4885
US-20140038910-A1 Beta Amino Acid Derivatives as Integrin Antagonists ITGB2, ITGAL, ITGB1 CCNB2 1870/4885CDK1 1856/4885CCNB1 1803/4885
US-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 CCNB2 4045/4885CDK1 2819/4885CCNB1 4091/4885
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 CCNB2 4045/4885CDK1 2819/4885CCNB1 4091/4885
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 CCNB2 4045/4885CDK1 2819/4885CCNB1 4091/4885
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 CCNB2 4045/4885CDK1 2819/4885CCNB1 4091/4885
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 CCNB2 4045/4885CDK1 2819/4885CCNB1 4091/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 CCNB2 1857/4885CDK1 1022/4885CCNB1 1548/4885

“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.