SCHEMBL2468906

SCHEMBL2468906

COc1cccc(O)c1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)n1ccnc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.34
ITGB7 P26010 3/20 0.34
SLC6A9 P48067 2/20 0.34
CCR8 P51685 2/20 0.34
KCNH2 Q12809 1/20 0.34
ITGB1 P05556 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2493197 0.92 SOAT1 (0.33) CCR8KCNH2RECQLSMN1; SMN2KMT2A
SCHEMBL2467171 0.89 SLC6A9 (0.40) ITGA4ITGB7SLC6A9CCR8RECQL
SCHEMBL2469667 0.84 SLC6A9 (0.38) ITGA4ITGB7SLC6A9ITGB1MEN1
SCHEMBL2471159 0.81 SLC6A9 (0.36) ITGA4ITGB7SLC6A9CCR8KCNH2
SCHEMBL2468166 0.80 NPC1 (0.37) SLC6A9CCR8RECQLSMN1; SMN2MEN1
SCHEMBL2496178 0.79 SLC6A9 (0.41) ITGA4ITGB7SLC6A9ITGB1MEN1
SCHEMBL6029919 0.77 KCNA3 (0.36) ITGA4ITGB7SLC6A9ITGB1MEN1
SCHEMBL2701371 0.77 ITGA4 (0.35) ITGA4ITGB7SLC6A9CCR8KCNH2
SCHEMBL2471028 0.75 ALDH1A1 (0.39) ITGA4ITGB7SLC6A9SMN1; SMN2MEN1
SCHEMBL2469967 0.75 SOAT1 (0.35) SLC6A9SMN1; SMN2KMT2APRKCBPRKCA

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 6 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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 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-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 (1 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ITGA4 4566/4885ITGB7 3975/4885SLC6A9 2351/4885

“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.