SCHEMBL4661838

SCHEMBL4661838

Cc1ncccc1Oc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.62
▸ SCN10A Q9Y5Y9 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SORT1 Q99523 7/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TTR P02766 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 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
SCHEMBL30867489 0.80 KDM4E (0.54) SCN8ASCN10AALDH1A1KDM4EHPGD
SCHEMBL18570624 0.79 SCN8A (0.50) SCN8ASCN10AALDH1A1KDM4EHPGD
SCHEMBL30294334 0.78 GPBAR1 (0.47) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL15561957 0.78 SCN10A (1.00) SCN8ASCN10A
SCHEMBL24518269 0.77 SCN10A (0.61) SCN8ASCN10AALDH1A1KDM4EHPGD
SCHEMBL29571346 0.77 SCN10A (0.61) SCN8ASCN10AALDH1A1KDM4EHPGD
SCHEMBL5423127 0.77 SCN8A (0.68) SCN8ASCN10A
SCHEMBL4661893 0.76 SCN8A (0.48) SCN8ASCN10ACYP2C19HTR2AHTR2C
SCHEMBL4615647 0.76 KDM4E (0.61) SCN8ASCN10AALDH1A1KDM4EHPGD
SCHEMBL22853133 0.75 TAS2R14 (0.62) ALDH1A1SORT1MEN1GMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
EP-2004596-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 — — EP disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 — — WO disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — 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-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders KCNH1, SCN5A, CACNA1A SCN8A 70/4885SCN10A 47/4885ALDH1A1 906/4885

“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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