SCHEMBL1156443

SCHEMBL1156443

CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]c(C(=O)O)cc3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 3/20 0.47
PIN1 Q13526 1/20 0.47
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
SMAD3 P84022 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
NR2F2 P24468 1/20 0.44
PDPK1 O15530 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL10293205 0.91 HRH4 (0.53) HPGDKMT2AMEN1POLBNPSR1
SCHEMBL10293192 0.89 MEN1 (0.47) HPGDKMT2AMEN1POLBNPSR1
SCHEMBL10293244 0.87 NR2F2 (0.46) HPGDKMT2AMEN1POLBNPSR1
SCHEMBL8275504 0.87 MEN1 (0.45) HPGDKMT2AMEN1POLBNPSR1
SCHEMBL1156330 0.85 NR2F2 (0.56) HPGDKMT2AMEN1POLBNPSR1
SCHEMBL8277125 0.85 NPC1 (0.55) KMT2AMEN1NPSR1CNR1CNR2
SCHEMBL10293175 0.85 NAMPT (0.47) POLBCNR1CNR2ALDH1A1NR2F2
SCHEMBL10293150 0.85 CNR1 (0.52) KMT2AMEN1CNR1CNR2
SCHEMBL8276962 0.85 NPC1 (0.57) KMT2AMEN1NPSR1CNR1CNR2
SCHEMBL10293271 0.85 MEN1 (0.53) KMT2AMEN1POLBNPSR1CNR1

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 19 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-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-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-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-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
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
EP-1776106-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-04-25 EP disclosed
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO 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 (3 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 HPGD 603/4885KMT2A 3808/4885MEN1 3121/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C HPGD 603/4885KMT2A 3808/4885MEN1 3121/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C HPGD 603/4885KMT2A 3808/4885MEN1 3121/4885

“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.