SCHEMBL22208757

SCHEMBL22208757

COc1cc(OC(F)(F)F)ccc1Oc1cc(Br)ccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SCN10A Q9Y5Y9 5/20 0.40
PRKDC P78527 1/20 0.39
ERN1 O75460 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
RUNX1 Q01196 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20638988 0.85 ALDH1A1 (0.48) ALDH1A1SCN10ASCN8AL3MBTL1KDM4E
SCHEMBL13581108 0.83 MAOA (0.41) ALDH1A1ERN1MAOAMAOBLMNA
SCHEMBL680344 0.83 ALDH1A1 (0.69) ALDH1A1RUNX1L3MBTL1MAOBLMNA
SCHEMBL20639171 0.82 SCN10A (0.44) ALDH1A1SCN10APRKDCSCN8AL3MBTL1
SCHEMBL22208805 0.80 SCN10A (0.43) ALDH1A1SCN10ASCN8ATTRKDM4E
SCHEMBL20639053 0.79 ALDH1A1 (0.42) ALDH1A1SCN10AERN1SCN8ATTR
SCHEMBL18570714 0.78 SCN10A (0.50) ALDH1A1SCN10AERN1SCN8ATTR
SCHEMBL31697224 0.77 ERN1 (0.41) ALDH1A1SCN10APRKDCERN1SCN8A
SCHEMBL22207737 0.77 ERN1 (0.41) ALDH1A1SCN10APRKDCERN1SCN8A
SCHEMBL1985337 0.77 TUBB1 (0.51) ALDH1A1PRKDCERN1RUNX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO 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-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A ALDH1A1 2665/4885SCN10A 3/4885PRKDC 3348/4885
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A ALDH1A1 2665/4885SCN10A 3/4885PRKDC 3348/4885

“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.