SCHEMBL22208564

SCHEMBL22208564

COc1c(F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
CTSS P25774 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NFE2L2 Q16236 1/20 0.35
ULK1 O75385 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
P2RX7 Q99572 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
KRAS P01116 1/20 0.34

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
SCHEMBL31697313 1.00 AR (0.44) ARCTSSCYP2D6SLC6A2SLC6A4
SCHEMBL16829403 0.87 CTSS (0.44) ARCTSSHSD11B1KMT2ANFE2L2
SCHEMBL13310501 0.83 CA2 (0.41) ARSLC6A2SLC6A4KMT2ANFE2L2
SCHEMBL23886230 0.80 KMT2A (0.37) ARCTSSSLC6A2SLC6A4KMT2A
SCHEMBL23886298 0.80 KMT2A (0.34) ARSLC6A2SLC6A4KMT2ANFE2L2
SCHEMBL475141 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4KMT2ANFE2L2KDM4E
SCHEMBL10971727 0.79 CYP2D6 (0.36) ARCYP2D6SLC6A2SLC6A4HSD11B1
SCHEMBL23977880 0.79 SCN8A (0.44) ARCTSSHSD11B1KMT2ANFE2L2
SCHEMBL21212296 0.79 CTSS (0.43) ARCTSSHSD11B1KMT2ANFE2L2
SCHEMBL10451316 0.79 AR (0.49) ARCTSSNFE2L2KDM4EALDH1A1

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 AR 3243/4885CTSS 1940/4885CYP2D6 2770/4885
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A AR 3243/4885CTSS 1940/4885CYP2D6 2770/4885

“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.