SCHEMBL2468588

SCHEMBL2468588

COc1ccccc1C(=O)NC(C(=NS(C)(=O)=O)Oc1ccccc1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA3 P22001 9/20 0.38
SLC6A9 P48067 1/20 0.37
CCR8 P51685 1/20 0.36
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
RAB9A P51151 2/20 0.35
KAT6A Q92794 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 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
SCHEMBL2469022 0.86 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2470867 0.83 KCNA3 (0.43) KCNA3CCR8
SCHEMBL2471493 0.82 KCNA3 (0.44) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2470976 0.81 KCNA3 (0.41) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2467806 0.78 RAB9A (0.46) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2469656 0.78 POLB (0.42) ALDH1A1MEN1KMT2AKCNA3SLC6A9
SCHEMBL2470694 0.77 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2469744 0.76 KMT2A (0.45) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL4031430 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2467857 0.76 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AKCNA3

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 8 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-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 ALDH1A1 3941/4885HPGD 1527/4885MEN1 3501/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885HPGD 1527/4885MEN1 3501/4885

“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.