SCHEMBL21323637

SCHEMBL21323637

Cc1cc(F)ccc1C(C)S

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
CYP2D6 P10635 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SOS1 Q07889 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL84044 0.82 ALDH1A1 (0.41) ACHEMEN1KMT2A
SCHEMBL25947213 0.80 CES2 (0.43) CYP2D6PSEN1PSEN2APH1BNCSTN
SCHEMBL18948896 0.80 CES2 (0.43) CYP2D6PSEN1PSEN2APH1BNCSTN
SCHEMBL13265101 0.78 MEN1 (0.41) CYP2D6CES2CES1MEN1KMT2A
SCHEMBL22728414 0.78 ACHE (0.33) ACHECYP2D6PSEN1PSEN2APH1B
SCHEMBL17215607 0.78 MEN1 (0.41) CYP2D6CES2CES1MEN1KMT2A
SCHEMBL18280637 0.78 PDE2A (0.44) MEN1KMT2A
SCHEMBL30134348 0.78 MEN1 (0.41) CYP2D6CES2CES1MEN1KMT2A
SCHEMBL12248153 0.78 MEN1 (0.41) CYP2D6CES2CES1MEN1KMT2A
SCHEMBL25688856 0.78 PDE2A (0.44) MEN1KMT2A

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-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 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-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ACHE 4738/4885CYP2D6 3373/4885PSEN1 4566/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ACHE 4738/4885CYP2D6 3373/4885PSEN1 4566/4885

“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.