SCHEMBL20350367

SCHEMBL20350367

CC(C)Nc1ccc(S)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.53
PDE10A Q9Y233 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
GPR55 Q9Y2T6 2/20 0.33
FDPS P14324 2/20 0.33
FDFT1 P37268 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6921057 0.77 HCAR3 (0.55) HCAR3TRPM8
SCHEMBL2642460 0.76
SCHEMBL4476961 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8GABRA1GABRG2
SCHEMBL3723734 0.75 HCAR3 (0.58) HCAR3PDE10A
SCHEMBL1181647 0.75 FDPS (0.56) HCAR3GABRA1GABRG2GABRB3GABRA5
SCHEMBL12243807 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8TLR9TLR8
SCHEMBL8002428 0.75 FDPS (0.56) HCAR3FDPSFDFT1TDP1
SCHEMBL13249613 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8TLR9TLR8
SCHEMBL29581129 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8TLR9TLR8
SCHEMBL12380194 0.75 HCAR3 (0.53) HCAR3GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 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-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 HCAR3 870/4885PDE10A 434/4885TRPV4 229/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 HCAR3 870/4885PDE10A 434/4885TRPV4 229/4885

“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.