SCHEMBL1102121

SCHEMBL1102121

O=C(CCn1ccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.64
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SCN3A Q9NY46 3/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
ALDH1A1 P00352 6/20 0.61
MAPT P10636 3/20 0.61
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MCL1 Q07820 1/20 0.57
BLM P54132 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PTGS1 P23219 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
SCHEMBL1091775 0.92 SCN3A (0.64) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1092055 0.88 AVPR2 (0.59) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1102270 0.88 AVPR2 (0.59) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1102127 0.88 LMNA (0.59) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1102126 0.88 ALDH1A1 (0.60) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1102063 0.87 PKM (0.62) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102141 0.86 LMNA (0.60) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1102029 0.86 LMNA (0.60) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1105410 0.86 MEN1 (0.64) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL9972277 0.86 LMNA (0.59) PKMLMNATSHRSMN1; SMN2SCN3A

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
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

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-20100087479-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.