SCHEMBL8277189

SCHEMBL8277189

Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.83
HTT P42858 4/20 0.83
LMNA P02545 4/20 0.83
TSHR P16473 3/20 0.83
NPSR1 Q6W5P4 3/20 0.83
ALDH1A1 P00352 3/20 0.83
MAPT P10636 2/20 0.83
PKM P14618 1/20 0.83
MAPK1 P28482 1/20 0.83
CNR1 P21554 5/20 0.81
CNR2 P34972 4/20 0.81
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HPGD P15428 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.59
USP2 O75604 3/20 0.57
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NR2F2 P24468 1/20 0.56

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
SCHEMBL8277446 0.90 LMNA (0.98) TP53HTTLMNATSHRNPSR1
SCHEMBL10260275 0.90 LMNA (0.98) TP53HTTLMNATSHRNPSR1
SCHEMBL10260069 0.90 CNR1 (0.81) TP53HTTLMNATSHRNPSR1
SCHEMBL10261002 0.89 CNR1 (1.00) TP53HTTLMNATSHRNPSR1
SCHEMBL10260484 0.89 HTT (0.86) TP53HTTLMNATSHRNPSR1
SCHEMBL10262518 0.89 CNR1 (0.70) TP53HTTLMNATSHRNPSR1
SCHEMBL10260718 0.86 HPGD (0.78) TP53HTTLMNATSHRNPSR1
SCHEMBL8277469 0.85 TSHR (0.81) TP53HTTLMNATSHRNPSR1
SCHEMBL10261223 0.83 LMNA (0.80) TP53HTTLMNATSHRNPSR1
SCHEMBL10260579 0.83 HPGD (0.77) TP53HTTLMNATSHRNPSR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C TP53 4174/4885HTT 1408/4885LMNA 1753/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C TP53 4174/4885HTT 1408/4885LMNA 1753/4885

“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.