SCHEMBL2468487

SCHEMBL2468487

COc1cccc(O)c1C(=O)NC(C1(c2cccc(F)c2)CCNCC1)S(=O)(=O)NCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 3/20 0.33
NPY5R Q15761 3/20 0.32
NPC1 O15118 1/20 0.32
SOAT1 P35610 2/20 0.32
CCR3 P51677 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
CHRM1 P11229 1/20 0.31
SLC6A9 P48067 1/20 0.31
POLB P06746 1/20 0.31
CCR8 P51685 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL2702902 0.89 KDM4E (0.40) ALDH1A1POLB
SCHEMBL2469411 0.89 SMN1; SMN2 (0.34) ALDH1A1SOAT1CCR3PRKCBPRKCA
SCHEMBL2469967 0.86 SOAT1 (0.35) ALDH1A1NPC1SOAT1PRKCBPRKCA
SCHEMBL2471272 0.86 PNLIP (0.34) ALDH1A1NPC1SOAT1POLB
SCHEMBL2471510 0.83 SOAT1 (0.34) ALDH1A1SOAT1CCR3ITGB1ITGA4
SCHEMBL2492124 0.81 SOAT1 (0.32) ALDH1A1HCRTR1SOAT1CCR3ITGB1
SCHEMBL2468085 0.81 SOAT1 (0.32) HCRTR1SOAT1CCR3ITGB1ITGA4
SCHEMBL2493026 0.81 CCR3 (0.34) ALDH1A1SOAT1CCR3PRKCBPRKCA
SCHEMBL2470579 0.81 KMT2A (0.34) CCR3PRKCBPRKCAPRKCEITGB1
SCHEMBL2472137 0.80 KCNA3 (0.43) ALDH1A1SLC6A9

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 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-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 3941/4885HCRTR1 1402/4885NPY5R 1362/4885

“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.