SCHEMBL3021885

SCHEMBL3021885

COCc1ccc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 9/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH3A1 P30838 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TTR P02766 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL14276995 0.87 PTPN1 (0.42) PTPN1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL7465621 0.83 MEN1 (0.43) PTPN1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL2364522 0.80 PTPN1 (0.49) PTPN1SMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL31090817 0.80 PTPN1 (0.49) PTPN1SMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL31090816 0.80 TSHR (0.49) PTPN1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL810810 0.80 TSHR (0.49) PTPN1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL27578149 0.79 TTR (0.53) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL5093436 0.79 LMNA (0.41) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL31090808 0.78 HSPB1 (0.47) PTPN1ALDH1A1MEN1KMT2AALDH3A1
SCHEMBL229088 0.78 HSPB1 (0.47) PTPN1ALDH1A1MEN1KMT2AALDH3A1

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 14 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-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
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-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 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-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
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
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
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 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 (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 PTPN1 1649/4885SMN1; SMN2 3013/4885ALDH1A1 1041/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 PTPN1 1649/4885SMN1; SMN2 3013/4885ALDH1A1 1041/4885

“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.