SCHEMBL2494491

SCHEMBL2494491

COc1ccc(S(=O)(=O)N2CCC(Cc3nc4ccccc4n3C)(c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.60
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.47
PKM P14618 2/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.45
CXCL8 P10145 1/20 0.45
NOD1 Q9Y239 1/20 0.45
NR3C1 P04150 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL2867643 0.74 LMNA (0.49) LMNAGAANPC1USP2KMT2A
SCHEMBL2493033 0.71 CCR5 (0.58) ALDH1A1NPSR1NPC1KMT2ARAB9A
SCHEMBL2465826 0.70 HDAC6 (0.49) LMNAALDH1A1NPC1KMT2ATSHR
SCHEMBL2699791 0.69 KMT2A (0.76) HSD11B1LMNAALDH1A1NPC1USP2
SCHEMBL2470523 0.69 PKM (0.55) HSD11B1LMNAALDH1A1GAANPSR1
SCHEMBL5132134 0.68 HSD11B1 (0.62) HSD11B1LMNAALDH1A1NPC1USP2
SCHEMBL12549973 0.68 HSD11B1 (1.00) HSD11B1LMNAALDH1A1NPC1USP2
SCHEMBL2699819 0.67 LMNA (0.60) HSD11B1LMNAALDH1A1NPC1USP2
SCHEMBL2247503 0.66 RAB9A (0.81) LMNANPC1KMT2ATSHRGFER
SCHEMBL19832267 0.66 PKM (0.69) HSD11B1LMNAALDH1A1NPC1USP2

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 12 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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 HSD11B1 4246/4885LMNA 1070/4885ALDH1A1 3941/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 HSD11B1 4246/4885LMNA 1070/4885ALDH1A1 3941/4885

“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.