SCHEMBL2495581

SCHEMBL2495581

COc1cccc(O)c1C(=O)NC(C1(c2ccccc2F)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 2/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
ITGB1 P05556 4/20 0.33
ITGA4 P13612 4/20 0.33
ITGB7 P26010 4/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
LPAR1 Q92633 1/20 0.32
KAT6A Q92794 1/20 0.32
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
MMP3 P08254 1/20 0.31
MMP10 P09238 1/20 0.31
PDE4D Q08499 1/20 0.31
MMP13 P45452 1/20 0.30

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
SCHEMBL2473011 0.90 SIGMAR1 (0.38) SIGMAR1KMT2ACCNA2CDK2ITGB1
SCHEMBL2471159 0.88 SLC6A9 (0.36) SIGMAR1KMT2AITGB1ITGA4ITGB7
SCHEMBL2469569 0.85 CCNA2 (0.39) SIGMAR1KMT2ACCNA2CDK2ITGB1
SCHEMBL2468212 0.80 ITGA4 (0.38) SIGMAR1KMT2ACCNA2CDK2ITGB1
SCHEMBL2473334 0.78 SMN1; SMN2 (0.44) SIGMAR1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2701371 0.78 ITGA4 (0.35) KMT2AITGB1ITGA4ITGB7SLC6A9
SCHEMBL2469667 0.77 SLC6A9 (0.38) SIGMAR1KMT2AITGB1ITGA4ITGB7
SCHEMBL2470579 0.77 KMT2A (0.34) SIGMAR1KMT2ACCNA2CDK2ITGB1
SCHEMBL2492124 0.77 SOAT1 (0.32) ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL2471510 0.76 SOAT1 (0.34) ITGB1ITGA4ITGB7SLC6A9ALDH1A1

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 SIGMAR1 2910/4885KMT2A 957/4885CCNA2 4364/4885

“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.