SCHEMBL2492124

SCHEMBL2492124

COc1cccc(O)c1C(=O)NC(C1(c2cccc(F)c2)CCNCC1)S(=O)(=O)N(C)CCO

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.32
ITGA4 P13612 2/20 0.32
ITGB7 P26010 2/20 0.32
ITGB1 P05556 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CCR3 P51677 1/20 0.31
TSHR P16473 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL2468085 0.88 SOAT1 (0.32) SOAT1ITGA4ITGB7ITGB1CCR3
SCHEMBL2471510 0.88 SOAT1 (0.34) SOAT1ITGA4ITGB7ITGB1ALDH1A1
SCHEMBL2469967 0.86 SOAT1 (0.35) SOAT1ALDH1A1
SCHEMBL2701371 0.85 ITGA4 (0.35) ITGA4ITGB7ITGB1ALDH1A1
SCHEMBL2497814 0.84 CCR8 (0.34) SOAT1ITGA4ITGB7ITGB1CCR3
SCHEMBL2471272 0.83 PNLIP (0.34) SOAT1ALDH1A1TSHR
SCHEMBL2468487 0.81 ALDH1A1 (0.33) SOAT1ITGA4ITGB7ITGB1ALDH1A1
SCHEMBL2471159 0.81 SLC6A9 (0.36) ITGA4ITGB7ITGB1ALDH1A1
SCHEMBL2470579 0.81 KMT2A (0.34) ITGA4ITGB7ITGB1CCR3
SCHEMBL2469411 0.81 SMN1; SMN2 (0.34) SOAT1ITGA4ITGB7ITGB1ALDH1A1

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 SOAT1 2745/4885ITGA4 4566/4885ITGB7 3975/4885

“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.