SCHEMBL2703397

SCHEMBL2703397

O=C(O)C1(Cc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.52
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL2701737 0.95 PKM (0.57) PKMALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL2702763 0.85 CYP2D6 (0.64) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2471749 0.84 ALDH1A1 (0.61) PKMNAMPTALDH1A1GAAMEN1
SCHEMBL2701428 0.82 KMT2A (0.55) PKMALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL2703307 0.82 CYP2C19 (0.64) PKMALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL8877209 0.82 CYP2D6 (0.57) PKMALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL2465689 0.82 ALDH1A1 (0.52) PKMALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL9314436 0.80 CYP4F2 (0.41) ALDH1A1GAAHTT
SCHEMBL2699819 0.79 LMNA (0.60) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL2701353 0.79 KMT2A (0.58) MEN1KMT2ALMNACYP2D6

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
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 PKM 675/4885NAMPT 2109/4885ALDH1A1 3941/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 PKM 675/4885NAMPT 2109/4885ALDH1A1 3941/4885

“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.