SCHEMBL18539636

SCHEMBL18539636

O=C(Nc1nccs1)c1cnc2c(S)cccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.73
STAMBP O95630 2/20 0.73
COPS5 Q92905 2/20 0.73
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SIRT2 Q8IXJ6 1/20 0.54
HPGDS O60760 1/20 0.54
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SCD O00767 1/20 0.50
HPGD P15428 1/20 0.49
RECQL P46063 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10871494 0.85 PSMD14 (0.69) PSMD14STAMBPCOPS5NPC1RAB9A
SCHEMBL18526861 0.85 PSMD14 (1.00) PSMD14STAMBPCOPS5NPC1RAB9A
SCHEMBL18987458 0.84 PSMD14 (0.71) PSMD14STAMBPCOPS5NPC1RAB9A
SCHEMBL18539640 0.83 PSMD14 (0.75) PSMD14STAMBPCOPS5
SCHEMBL18987530 0.83 PSMD14 (0.69) PSMD14STAMBPCOPS5NPC1RAB9A
SCHEMBL29563919 0.79 PSMD14 (0.76) PSMD14STAMBPCOPS5HPGDS
SCHEMBL18539642 0.79 PSMD14 (0.76) PSMD14STAMBPCOPS5HPGDS
SCHEMBL18539634 0.77 PSMD14 (0.68) PSMD14STAMBPCOPS5HPGDS
SCHEMBL18539635 0.76 PSMD14 (0.73) PSMD14STAMBPCOPS5HPGDS
SCHEMBL9963854 0.75 RAB9A (0.89) NPC1RAB9AMEN1KMT2ASIRT2

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-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
US-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
WO-2017031255-A1 INHIBITORS OF RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 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-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885STAMBP 3835/4885COPS5 700/4885
US-10005735-B2 Inhibitors of RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885STAMBP 3835/4885COPS5 700/4885

“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.