SCHEMBL2701832

SCHEMBL2701832

NC(=O)C1(c2ccccc2)CCN(S(N)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
HSD11B1 P28845 3/20 0.52
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRL1 P41146 1/20 0.51
MEN1 O00255 2/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MLYCD O95822 1/20 0.44
AKR1C1 Q04828 1/20 0.43
TET3 O43151 1/20 0.43
FBXL19 Q6PCT2 1/20 0.43
CXXC5 Q7LFL8 1/20 0.43

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
SCHEMBL2701337 0.89 KMT2A (0.72) KMT2AHSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL2702185 0.85 SMN1; SMN2 (0.56) KMT2AHSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL2701654 0.84 OPRL1 (0.55) KMT2AHSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL8366154 0.83 OPRL1 (0.56) KMT2AHSD11B1TSHRSMN1; SMN2OPRL1
SCHEMBL2701550 0.83 ALDH1A1 (0.42) KMT2AHSD11B1CYP2C19SMN1; SMN2OPRL1
SCHEMBL2702946 0.83 KMT2A (0.54) KMT2AHSD11B1OPRL1MEN1ALDH1A1
SCHEMBL2701656 0.82 GAA (0.53) KMT2ACYP2C19TSHRSMN1; SMN2OPRL1
SCHEMBL2701818 0.81 KMT2A (0.65) KMT2ACYP2C19TSHRSMN1; SMN2MEN1
SCHEMBL2700042 0.81 KMT2A (0.54) KMT2AHSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL2722547 0.80 AKR1C1 (0.57) KMT2AHSD11B1SMN1; SMN2OPRL1MEN1

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 7 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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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 (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 KMT2A 957/4885HSD11B1 4246/4885CYP2C19 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.