SCHEMBL1102263

SCHEMBL1102263

COC(=O)c1ccc2c(ccn2CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.56
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
SCN3A Q9NY46 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL1102104 0.93 PKM (0.54) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974133 0.90 PKM (0.66) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974114 0.88 PKM (0.58) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL12522877 0.88 ALDH1A1 (0.62) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974113 0.86 PKM (0.58) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974112 0.86 AVPR2 (0.59) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9974115 0.86 MEN1 (0.58) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9972239 0.85 PKM (0.65) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1091775 0.84 SCN3A (0.64) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974110 0.84 LMNA (0.54) PKMLMNATSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885LMNA 1374/4885TSHR 4176/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885LMNA 1374/4885TSHR 4176/4885

“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.