SCHEMBL2496825

SCHEMBL2496825

CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.43
P2RX7 Q99572 3/20 0.42
MCHR1 Q99705 1/20 0.40
CYP2C9 P11712 1/20 0.40
CNR2 P34972 1/20 0.40
KCNA3 P22001 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2470148 0.86 SLC6A9 (0.46) SLC6A9P2RX7MCHR1LMNA
SCHEMBL2468682 0.84 SLC6A9 (0.51) SLC6A9P2RX7MCHR1LMNA
SCHEMBL2467928 0.84 SLC6A9 (0.51) SLC6A9P2RX7LMNA
SCHEMBL2491201 0.84 MCHR1 (0.49) SLC6A9MCHR1CYP2C9HDAC3HDAC1
SCHEMBL2468582 0.82 HDAC3 (0.51) SLC6A9MCHR1CYP2C9HDAC3HDAC1
SCHEMBL2473573 0.82 USP2 (0.44) SLC6A9MCHR1CYP2C9HDAC3HDAC1
SCHEMBL2471924 0.82 PKM (0.45) SLC6A9P2RX7LMNA
SCHEMBL13175412 0.80 SLC6A9 (0.46) SLC6A9P2RX7KCNA3
SCHEMBL2473533 0.80 P2RX7 (0.42) SLC6A9P2RX7KCNA3LMNA
SCHEMBL13594085 0.80 P2RX7 (0.42) SLC6A9P2RX7KCNA3LMNA

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 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-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

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 2351/4885P2RX7 518/4885MCHR1 3383/4885

“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.