Sugi Predict

Sugi Predict / Compounds / SCHEMBL2625880

SCHEMBL2625880

SCHEMBL2625880

O=C(C(O)Cn1ccc2ccccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 6/20 0.45
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SCN9A Q15858 3/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ SCN8A Q9UQD0 2/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ SCN4A P35499 1/20 0.41

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
SCHEMBL10311235 1.00 SCN3A (0.45) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL10310687 1.00 SCN3A (0.45) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL13148698 0.87 CXCR3 (0.46) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL12710275 0.86 MEN1 (0.45) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL2626404 0.85 KMT2A (0.44) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL14683362 0.85 KMT2A (0.44) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL14683440 0.85 KMT2A (0.44) SCN3AMEN1KMT2ACTDSP1BLM
SCHEMBL14684031 0.80 ALDH1A1 (0.48) SCN3AMEN1KMT2AALDH1A1POLB
SCHEMBL2625841 0.80 ALDH1A1 (0.48) SCN3AMEN1KMT2AALDH1A1POLB
SCHEMBL2626153 0.79 SCN3A (0.55) SCN3AMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN3A 74/4885MEN1 4203/4885KMT2A 1452/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN3A 60/4885MEN1 4701/4885KMT2A 1129/4885

“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.