SCHEMBL2468558

SCHEMBL2468558

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.39
SLC6A9 P48067 1/20 0.39
SOAT1 P35610 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
GCGR P47871 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.35
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2469967 0.90 SOAT1 (0.35) SLC6A9SOAT1LMNASMN1; SMN2
SCHEMBL2465813 0.89 RXFP1 (0.47) RXFP1SLC6A9SOAT1ITGB1ITGA4
SCHEMBL2469667 0.88 SLC6A9 (0.38) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2470579 0.88 KMT2A (0.34) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2496178 0.83 SLC6A9 (0.41) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2473011 0.81 SIGMAR1 (0.38) SLC6A9ITGB1ITGA4ITGB7HCRTR1
SCHEMBL2467425 0.80 RXFP1 (0.45) RXFP1SLC6A9SOAT1ITGB1ITGA4
SCHEMBL2471272 0.79 PNLIP (0.34) SOAT1GAALMNASMN1; SMN2
SCHEMBL2471159 0.79 SLC6A9 (0.36) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2473766 0.78 SMN1; SMN2 (0.44) RXFP1GAALMNASMN1; SMN2

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 RXFP1 3494/4885SLC6A9 2351/4885SOAT1 2745/4885

“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.