SCHEMBL2701896

SCHEMBL2701896

N#Cc1cccc(S(=O)(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 3/20 0.50
CYP3A4 P08684 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C9 P11712 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C1 Q04828 1/20 0.44
SCN9A Q15858 2/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44

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
SCHEMBL2699765 0.83 KMT2A (0.61) KMT2AMEN1SMN1; SMN2TSHRUSP2
SCHEMBL2468533 0.83 ALDH1A1 (0.76) KMT2AMEN1SMN1; SMN2TSHRUSP2
SCHEMBL2701899 0.81 USP2 (0.48) KMT2AMEN1SMN1; SMN2TSHRUSP2
SCHEMBL2701818 0.76 KMT2A (0.65) KMT2AMEN1SMN1; SMN2TSHRCYP2C19
SCHEMBL2701832 0.75 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TSHRCYP2C19
SCHEMBL3629308 0.75 ALDH1A1 (0.63) KMT2AMEN1SMN1; SMN2TSHRUSP2
SCHEMBL14312443 0.74 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2USP2CYP3A4
SCHEMBL4525391 0.74 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL2700042 0.74 KMT2A (0.54) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL3629646 0.74 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2TSHRUSP2

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-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
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 KMT2A 957/4885MEN1 3501/4885SMN1; SMN2 4032/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885MEN1 3501/4885SMN1; SMN2 4032/4885

“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.