SCHEMBL2472845

SCHEMBL2472845

Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
GAA P10253 2/20 0.59
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
OPRL1 P41146 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.51
OPRM1 P35372 1/20 0.51
FBP1 P09467 2/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.49
METAP2 P50579 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2468317 0.88 ALDH1A1 (0.80) ALDH1A1GAACYP2C19KMT2AMEN1
SCHEMBL2468533 0.85 ALDH1A1 (0.76) ALDH1A1GAAKMT2AMEN1OPRL1
SCHEMBL2469356 0.84 ALDH1A1 (0.85) ALDH1A1CYP2C19KMT2AMEN1OPRL1
SCHEMBL14312495 0.83 ALDH1A1 (0.56) ALDH1A1GAACYP2C19KMT2AMEN1
SCHEMBL2469782 0.82 ALDH1A1 (0.85) ALDH1A1CYP2C19KMT2AOPRL1SMN1; SMN2
SCHEMBL2468167 0.82 ALDH1A1 (0.67) ALDH1A1CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL2465708 0.82 ALDH1A1 (0.80) ALDH1A1GAACYP2C19KMT2AMEN1
SCHEMBL2465437 0.80 ALDH1A1 (0.78) ALDH1A1GAAKMT2AOPRL1SMN1; SMN2
SCHEMBL2470399 0.78 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1OPRL1
SCHEMBL13183011 0.78 ALDH1A1 (0.74) ALDH1A1GAAKMT2AMEN1OPRL1

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 13 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 claimed
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 ALDH1A1 3941/4885GAA 3999/4885CYP2C19 3045/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885GAA 3999/4885CYP2C19 3045/4885

“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.