SCHEMBL8006512

SCHEMBL8006512

CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ COMT P21964 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1102244 0.88 KDM4E (0.70) COMTKDM4EALDH1A1HTTPOLB
SCHEMBL15116254 0.85 L3MBTL1 (0.61) L3MBTL1COMTKDM4ENPC1ALDH1A1
SCHEMBL8388796 0.83 L3MBTL1 (0.58) L3MBTL1COMTKDM4ENPC1ALDH1A1
SCHEMBL14919829 0.82 NPC1 (0.70) L3MBTL1COMTKDM4ENPC1ALDH1A1
SCHEMBL14336996 0.73 HSP90AA1 (0.48) L3MBTL1COMTKDM4ENPC1ALDH1A1
SCHEMBL15457044 0.73 KMT2A (0.57) L3MBTL1NPC1ALDH1A1HTTPOLB
SCHEMBL15116255 0.72 KDM4E (0.74) COMTKDM4EALDH1A1HTTPOLB
SCHEMBL17960049 0.71 COMT (1.00) COMTKDM4ESMN1; SMN2
SCHEMBL17962417 0.71 COMT (0.78) L3MBTL1COMTKDM4ENPC1ALDH1A1
SCHEMBL2646337 0.71 NPC1 (0.68) L3MBTL1KDM4ENPC1ALDH1A1HTT

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-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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 — — 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 (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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 L3MBTL1 4236/4885COMT 3905/4885KDM4E 2385/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 L3MBTL1 4236/4885COMT 3905/4885KDM4E 2385/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 L3MBTL1 4236/4885COMT 3905/4885KDM4E 2385/4885

“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.

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