SCHEMBL2472840

SCHEMBL2472840

COc1ccccc1C(=O)NC(C1(c2ccc(F)cc2)CCNCC1)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CTSD P07339 1/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.37
CCR8 P51685 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNA3 P22001 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
P2RX7 Q99572 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
SCHEMBL2469920 0.93 GAA (0.41) GAASMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2470694 0.93 ALDH1A1 (0.46) RAB9AALDH1A1HPGDCTSDNPC1
SCHEMBL2473766 0.91 SMN1; SMN2 (0.44) GAASMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2468580 0.89 ALDH1A1 (0.44) RAB9AALDH1A1HPGDCTSDNPC1
SCHEMBL2470113 0.88 SMN1; SMN2 (0.42) GAASMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2473334 0.87 SMN1; SMN2 (0.44) GAASMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2470957 0.87 SMN1; SMN2 (0.40) GAASMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2497389 0.86 KCNA3 (0.50) SMN1; SMN2ALDH1A1HPGDCTSDNPC1
SCHEMBL2472644 0.86 ALDH1A1 (0.39) SMN1; SMN2RAB9AALDH1A1HPGDCTSD
SCHEMBL2470999 0.85 MEN1 (0.48) GAASMN1; SMN2RAB9AALDH1A1HPGD

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 5 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-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 GAA 3999/4885SMN1; SMN2 4032/4885RAB9A 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.