SCHEMBL2701899

SCHEMBL2701899

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.48
CYP3A4 P08684 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 2/20 0.46
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
GBA1 P04062 1/20 0.43
GAA P10253 1/20 0.43
SFRP1 Q8N474 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2699767 0.82 HDAC3 (0.50) USP2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL2701896 0.81 KMT2A (0.57) USP2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL2473573 0.78 USP2 (0.44) USP2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL3629308 0.76 ALDH1A1 (0.63) USP2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2701822 0.76 PKM (0.60) KMT2AALDH1A1SMN1; SMN2MEN1CYP2C19
SCHEMBL2468533 0.75 ALDH1A1 (0.76) USP2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL3629646 0.75 ALDH1A1 (0.61) USP2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2961172 0.74 HTT (0.61) USP2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL2701835 0.74 MAOA (0.61) KMT2AMAOAMAOBTAAR1
SCHEMBL10250933 0.73 PKM (0.56) ALDH1A1SMN1; SMN2CTSGCMA1SCN9A

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 USP2 2057/4885CYP3A4 1607/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 USP2 2057/4885CYP3A4 1607/4885KMT2A 957/4885

“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.