SCHEMBL1102126

SCHEMBL1102126

Cc1ccc2ccn(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
PKM P14618 3/20 0.60
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
PPIA P62937 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
SCN3A Q9NY46 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.51
PTPN1 P18031 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN11 Q06124 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51

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
SCHEMBL9972233 0.92 ALDH1A1 (0.62) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1092055 0.90 AVPR2 (0.59) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102063 0.89 PKM (0.62) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102121 0.88 PKM (0.64) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1105591 0.87 LMNA (0.56) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102022 0.87 LMNA (0.56) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102029 0.87 LMNA (0.60) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102141 0.87 LMNA (0.60) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL12522877 0.85 ALDH1A1 (0.62) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL1102127 0.84 LMNA (0.59) ALDH1A1PKMLMNATSHRSMN1; SMN2

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 3 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-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

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 ALDH1A1 2811/4885PKM 4054/4885LMNA 1374/4885

“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.