SCHEMBL23034573

SCHEMBL23034573

CC(C)c1ccc([C@@H](S)c2cccc(C(=O)NCCC#N)c2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 2/20 0.46
CTSL P07711 1/20 0.37
EPHX2 P34913 9/20 0.36
ALOX5 P09917 8/20 0.36
GPR139 Q6DWJ6 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKD1 Q15139 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 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
SCHEMBL19116694 0.92 TP53BP1 (0.47) TP53BP1CTSLEPHX2ALOX5GPR139
SCHEMBL19121150 0.83 CTSL (0.45) TP53BP1CTSLGPR139KMT2AGAA
SCHEMBL19440384 0.82 TP53BP1 (0.40) TP53BP1CTSLKMT2AGAAHSD17B10
SCHEMBL25947864 0.80 TP53BP1 (0.49) TP53BP1CTSLEPHX2ALOX5GPR139
SCHEMBL17658901 0.79 TP53BP1 (0.61) TP53BP1CTSLEPHX2ALOX5GPR139
SCHEMBL13122905 0.74 SLC6A3 (0.40) TP53BP1CTSLEPHX2ALOX5KMT2A
SCHEMBL16884654 0.70 HPGD (0.49) TP53BP1EPHX2KMT2ASMN1; SMN2MEN1
SCHEMBL24904269 0.69 HPGD (0.58) EPHX2KMT2ASMN1; SMN2MEN1
SCHEMBL20759290 0.69 ALDH1A1 (0.44) TP53BP1CTSLPRKD1SMN1; SMN2
SCHEMBL12756951 0.68 NPC1 (0.61) CTSLKMT2AGAAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 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 (1 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-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TP53BP1 3917/4885CTSL 3540/4885EPHX2 2041/4885

“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.