SCHEMBL2701550

SCHEMBL2701550

NC(=O)C1(c2cccc(F)c2)CCN(S(N)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD11B1 P28845 1/20 0.39
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MLYCD O95822 1/20 0.38
KDM1A O60341 2/20 0.38
KCNN4 O15554 1/20 0.38
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL2701856 0.86 SPR (0.36) ALDH1A1KMT2AMEN1HSD11B1SMN1; SMN2
SCHEMBL4320025 0.84 KCNN4 (0.47) ALDH1A1HSD11B1KDM1AKCNN4
SCHEMBL2702946 0.84 KMT2A (0.54) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL2702235 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CYP2C9CYP1A2
SCHEMBL2701748 0.83 CHRNA7 (0.49) KMT2AMEN1MLYCDKDM1AOPRL1
SCHEMBL2701832 0.83 KMT2A (0.57) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL2699765 0.81 KMT2A (0.61) ALDH1A1KMT2AMEN1CYP2C9USP2
SCHEMBL10002509 0.81 LMNA (0.48) ALDH1A1KDM1AKCNN4
SCHEMBL16266715 0.80 LMNA (0.54) ALDH1A1KMT2AMEN1KDM1AKCNN4
SCHEMBL2702747 0.80 PSEN1 (0.41) OPRL1

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 4 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

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 ALDH1A1 3941/4885KMT2A 957/4885MEN1 3501/4885

“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.