SCHEMBL21323398

SCHEMBL21323398

CC(C)Nc1cccc(S)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
KCNH3 Q9ULD8 1/20 0.36
FDPS P14324 1/20 0.36
FDFT1 P37268 1/20 0.36
FLT3 P36888 1/20 0.35
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
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR3 P49019 1/20 0.33
IDH1 O75874 1/20 0.33
NR4A2 P43354 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RECQL P46063 2/20 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
SCHEMBL12541310 0.84 TDP1 (0.44) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL14270726 0.77 FDPS (0.58) FDPSFDFT1SMN1; SMN2MEN1KMT2A
SCHEMBL18522968 0.76
SCHEMBL3224012 0.75 XIAP (0.54) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL22332344 0.75 FFAR2 (0.43) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL8001028 0.75 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AIDH1NR4A2
SCHEMBL10829373 0.75 KDR (0.41) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL12848312 0.75 FDPS (0.40) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL17658884 0.75 HSD11B1 (0.41) TDP1KCNH3FDPSFDFT1FLT3
SCHEMBL19121159 0.75 ESR1 (0.47) SMN1; SMN2HCAR3IDH1

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
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
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 (3 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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TDP1 4837/4885KCNH3 93/4885FDPS 1072/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TDP1 4837/4885KCNH3 93/4885FDPS 1072/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TDP1 4837/4885KCNH3 93/4885FDPS 1072/4885

“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.