SCHEMBL2469667

SCHEMBL2469667

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.38
ITGA4 P13612 5/20 0.37
ITGB7 P26010 5/20 0.37
ITGB1 P05556 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP3 P08254 1/20 0.34
MMP10 P09238 1/20 0.34

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
SCHEMBL2496178 0.95 SLC6A9 (0.41) SLC6A9ITGA4ITGB7ITGB1SIGMAR1
SCHEMBL2469967 0.90 SOAT1 (0.35) SLC6A9KMT2AALDH1A1
SCHEMBL2471159 0.90 SLC6A9 (0.36) SLC6A9ITGA4ITGB7ITGB1SIGMAR1
SCHEMBL2470579 0.90 KMT2A (0.34) SLC6A9ITGA4ITGB7ITGB1SIGMAR1
SCHEMBL2468558 0.88 RXFP1 (0.39) SLC6A9ITGA4ITGB7ITGB1
SCHEMBL2470694 0.87 ALDH1A1 (0.46) SLC6A9ITGA4ITGB7ITGB1MEN1
SCHEMBL2473011 0.87 SIGMAR1 (0.38) SLC6A9ITGA4ITGB7ITGB1SIGMAR1
SCHEMBL2470999 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2701371 0.85 ITGA4 (0.35) SLC6A9ITGA4ITGB7ITGB1MMP13
SCHEMBL6029919 0.85 KCNA3 (0.36) SLC6A9ITGA4ITGB7ITGB1MMP13

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 SLC6A9 2351/4885ITGA4 4566/4885ITGB7 3975/4885

“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.