SCHEMBL2470957

SCHEMBL2470957

COc1ccccc1C(=O)NC(C1(c2cc(F)ccc2F)CCNCC1)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CTSD P07339 1/20 0.37
CASP3 P42574 2/20 0.37
CCR8 P51685 1/20 0.37
PIN1 Q13526 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
BRPF1 P55201 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ABL1 P00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNMA1 Q12791 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2473334 0.92 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL2469920 0.88 GAA (0.41) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL2465430 0.87 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL2473766 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL2472840 0.87 GAA (0.44) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL2470113 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL2470694 0.84 ALDH1A1 (0.46) NPC1RAB9AALDH1A1HPGDCTSD
SCHEMBL2465502 0.82 NPC1 (0.42) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL2472644 0.81 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL2468580 0.80 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDCTSD

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 SMN1; SMN2 4032/4885NPC1 989/4885RAB9A 1780/4885

“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.