SCHEMBL3017980

SCHEMBL3017980

N#Cc1ccc(C(Br)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40
OPRD1 P41143 1/20 0.40
EEF2K O00418 1/20 0.40

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
SCHEMBL7399359 0.83 F2 (0.48) GSK3BTSHRCA2CA1
SCHEMBL9727087 0.82 GSK3B (0.52) GSK3BTSHRMAPTL3MBTL1KDM4E
SCHEMBL9436048 0.81 GSK3B (0.70) GSK3BMAPTL3MBTL1KDM4EGAA
SCHEMBL6490821 0.79 GSK3B (0.56) GSK3BCES2CES1MAPTALDH1A1
SCHEMBL11219485 0.79 GSK3B (0.47) GSK3BTSHRMAPTL3MBTL1KDM4E
SCHEMBL6168003 0.78 TSHR (0.48) GSK3BTSHRMAPTL3MBTL1KDM4E
SCHEMBL24605822 0.78 GSK3B (0.47) GSK3BMAPTL3MBTL1KDM4EGAA
SCHEMBL5077987 0.78 GSK3B (0.47) GSK3BTSHRMAPTL3MBTL1KDM4E
SCHEMBL8975203 0.78 LMNA (0.56) GSK3BTSHRMAPTL3MBTL1KDM4E
SCHEMBL2563661 0.78 LMNA (0.56) GSK3BTSHRMAPTL3MBTL1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 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 (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-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 GSK3B 1119/4885CES2 1154/4885CES1 1243/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 GSK3B 1119/4885CES2 1154/4885CES1 1243/4885

“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.