SCHEMBL1102123

SCHEMBL1102123

Cc1cc2ccccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.62
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
ALDH1A1 P00352 7/20 0.59
MAPT P10636 4/20 0.59
SCN3A Q9NY46 3/20 0.59
CYP3A4 P08684 2/20 0.56
POLB P06746 2/20 0.56
MCL1 Q07820 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS1 P23219 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL9972254 0.91 SCN3A (0.61) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL9974136 0.89 AVPR2 (0.58) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL1102266 0.89 LMNA (0.58) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL1102121 0.85 PKM (0.64) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL13212220 0.81 SCN3A (0.65) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1102268 0.81 PKM (0.61) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL9974130 0.81 ALDH1A1 (0.60) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL1102126 0.81 ALDH1A1 (0.60) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL1105410 0.81 MEN1 (0.64) PKMLMNATSHRSMN1; SMN2KMT2A
SCHEMBL1091775 0.81 SCN3A (0.64) PKMLMNATSHRSMN1; SMN2KMT2A

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.