SCHEMBL1102244

SCHEMBL1102244

CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)c2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.70
▸ COMT P21964 4/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 5/20 0.49
▸ TSHR P16473 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HIF1A Q16665 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
SCHEMBL8006512 0.88 L3MBTL1 (0.58) KDM4ECOMTSMN1; SMN2LMNAALDH1A1
SCHEMBL15116255 0.84 KDM4E (0.74) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL17962271 0.83 KDM4E (1.00) KDM4ECOMTSMN1; SMN2TSHRALDH1A1
SCHEMBL9974085 0.82 KDM4E (0.70) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL17960049 0.81 COMT (1.00) KDM4ECOMTSMN1; SMN2
SCHEMBL13820759 0.81 KDM4E (0.69) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL14336996 0.75 HSP90AA1 (0.48) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL17962752 0.75 COMT (0.58) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL17960031 0.74 COMT (0.60) KDM4ECOMTSMN1; SMN2LMNATSHR
SCHEMBL17962367 0.73 COMT (1.00) KDM4ECOMTSMN1; SMN2LMNAHTT

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 11 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-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
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 (4 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 KDM4E 2385/4885COMT 3905/4885SMN1; SMN2 524/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885COMT 3905/4885SMN1; SMN2 524/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885COMT 3905/4885SMN1; SMN2 524/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885COMT 3905/4885SMN1; SMN2 524/4885

“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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