SCHEMBL2472644

SCHEMBL2472644

COc1cccc(C2(C(NC(=O)c3ccccc3OC)S(N)(=O)=O)CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
CTSD P07339 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CASP3 P42574 1/20 0.38
CCR8 P51685 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNA3 P22001 1/20 0.37
CLK1 P49759 1/20 0.37
STS P08842 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2470694 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2465502 0.90 NPC1 (0.42) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2473766 0.90 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2465813 0.88 RXFP1 (0.47)
SCHEMBL2470113 0.87 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2469920 0.87 GAA (0.41) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2468580 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2472840 0.86 GAA (0.44) ALDH1A1MEN1KMT2AHPGDCTSD
SCHEMBL2470999 0.85 MEN1 (0.48) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2497389 0.83 KCNA3 (0.50) ALDH1A1MEN1KMT2AHPGDCTSD

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 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885

“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.