SCHEMBL10293151

SCHEMBL10293151

CC1CCN(S(=O)(=O)c2ccc3[nH]c(C(=O)N(C)Cc4ccccc4)cc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 3/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
CHRM5 P08912 1/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TGM2 P21980 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL10293102 0.90 CNR1 (0.60) ATMMEN1KMT2ARXFP1GAA
SCHEMBL10293178 0.90 ATM (0.60) ATMMEN1KMT2AUSP2RXFP1
SCHEMBL10293242 0.84 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10293200 0.83 MEN1 (0.59) MEN1KMT2AKDM4ELMNAMCOLN3
SCHEMBL1155933 0.83 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10293140 0.82 LMNA (0.61) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL8278374 0.82 MEN1 (0.56) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL8276799 0.81 NPC1 (0.56) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL10263052 0.80 LMNA (0.57) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL8276748 0.79 LMNA (0.51) MEN1KMT2AGAAKDM4EALDH1A1

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 8 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-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

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 ATM 4549/4885MEN1 3121/4885KMT2A 3808/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C ATM 4549/4885MEN1 3121/4885KMT2A 3808/4885

“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.