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Sugi Predict / Compounds / SCHEMBL2701353

SCHEMBL2701353

SCHEMBL2701353

O=C(O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ LIPE Q05469 2/20 0.51
▸ EPHX2 P34913 3/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ PRCP P42785 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ ADAM17 P78536 1/20 0.45
▸ EPHX1 P07099 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 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
SCHEMBL2699819 0.85 LMNA (0.60) KMT2AMEN1CYP2D6LMNA
SCHEMBL2702763 0.85 CYP2D6 (0.64) KMT2AMEN1CYP2D6CYP2C19
SCHEMBL2701737 0.84 PKM (0.57) KMT2ACYP2D6CYP2C19LMNA
SCHEMBL2465751 0.83 MEN1 (0.50) KMT2AMEN1LIPEEPHX2ADAM17
SCHEMBL2701428 0.82 KMT2A (0.55) KMT2AMEN1CYP2D6
SCHEMBL2703307 0.82 CYP2C19 (0.64) KMT2AMEN1CYP2D6CYP2C19LMNA
SCHEMBL11888860 0.79 KMT2A (0.58) KMT2AMEN1LIPEEPHX2CYP2D6
SCHEMBL2703397 0.79 PKM (0.52) KMT2AMEN1CYP2D6LMNA
SCHEMBL12085002 0.77 LIPE (0.63) KMT2AMEN1LIPEEPHX2CYP2D6
SCHEMBL8877209 0.77 CYP2D6 (0.57) KMT2AMEN1CYP2D6

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
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US 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

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 3501/4885LIPE 4519/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885MEN1 3501/4885LIPE 4519/4885

“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.