SCHEMBL9974085

SCHEMBL9974085

CCc1ccc(S(=O)(=O)N2CCCCC2)c2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.70
▸ COMT P21964 5/20 0.68
▸ LMNA P02545 5/20 0.55
▸ HTT P42858 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MCOLN3 Q8TDD5 2/20 0.55
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GAA P10253 2/20 0.51
▸ RECQL P46063 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL8388796 0.88 L3MBTL1 (0.58) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL15116255 0.84 KDM4E (0.74) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL17962271 0.83 KDM4E (1.00) KDM4ECOMTALDH1A1TSHRSMN1; SMN2
SCHEMBL1102244 0.82 KDM4E (0.70) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL17960049 0.81 COMT (1.00) KDM4ECOMTSMN1; SMN2
SCHEMBL13820759 0.81 KDM4E (0.69) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL17960031 0.76 COMT (0.60) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL9397254 0.74 ALDH1A1 (0.67) KDM4ECOMTLMNAHTTALDH1A1
SCHEMBL17962367 0.73 COMT (1.00) KDM4ECOMTLMNAHTTSMN1; SMN2
SCHEMBL17962417 0.73 COMT (0.78) KDM4ECOMTLMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885COMT 3905/4885LMNA 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.

Send feedback