SCHEMBL2701062

SCHEMBL2701062

O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
OPRL1 P41146 2/20 0.45
CXCR4 P61073 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CXXC4 Q9H2H0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2703624 0.91 ALDH1A1 (0.51) KMT2AALDH1A1CYP2C19OPRL1CXCR4
SCHEMBL13593924 0.90 ALDH1A1 (0.67) KMT2AALDH1A1RAB9AOPRL1CXCR4
SCHEMBL2472311 0.85 ALDH1A1 (0.48) KMT2AALDH1A1OPRL1
SCHEMBL2469733 0.84 ALDH1A1 (0.55) KMT2AALDH1A1MEN1RAB9AOPRL1
SCHEMBL13183011 0.83 ALDH1A1 (0.74) KMT2AALDH1A1MEN1OPRL1
SCHEMBL2513448 0.83 ALDH1A1 (0.58) KMT2AALDH1A1MEN1OPRL1CXCR4
SCHEMBL2701091 0.83 CA12 (0.43) KMT2AALDH1A1CYP2C19MEN1RAB9A
SCHEMBL2703625 0.81 MAOA (0.43) ALDH1A1CYP2C19CXCR4CA12CA7
SCHEMBL2467123 0.79 ALDH1A1 (0.48) ALDH1A1RAB9AOPRL1PKM
SCHEMBL2467319 0.79 ALDH1A1 (0.44) KMT2AALDH1A1OPRL1CA12CA7

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 10 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-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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO 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 KMT2A 957/4885ALDH1A1 3941/4885CYP2C19 3045/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885ALDH1A1 3941/4885CYP2C19 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.