SCHEMBL1101965

SCHEMBL1101965

COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
KDM4E B2RXH2 1/20 0.79
POLB P06746 1/20 0.79
HPGD P15428 1/20 0.79
RAB9A P51151 1/20 0.79
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.69
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
CYP3A4 P08684 2/20 0.65
CYP2C19 P33261 2/20 0.65
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP2C9 P11712 1/20 0.63
GAA P10253 2/20 0.62
TP53 P04637 1/20 0.62
USP2 O75604 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
ALOX12 P18054 1/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL22834120 0.86 ALDH1A1 (0.79) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL788790 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL15052377 0.83 GAA (0.79) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL22850093 0.80 ALDH1A1 (0.70) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL7656561 0.80 KMT2A (0.65) ALDH1A1POLBRAB9AMAPTSMN1; SMN2
SCHEMBL10572203 0.79 MAPT (0.72) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL29451836 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL14263634 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL7508585 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL7502844 0.77 LMNA (0.66) ALDH1A1KDM4EPOLBHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
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
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 (3 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 2811/4885KDM4E 2385/4885POLB 4241/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885KDM4E 2385/4885POLB 4241/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885KDM4E 2385/4885POLB 4241/4885

“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.