SCHEMBL18539641

SCHEMBL18539641

O=C(NCCc1ccco1)c1cnc2c(S)cccc2c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 7/20 0.76
STAMBP O95630 7/20 0.76
COPS5 Q92905 5/20 0.76
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL18539638 0.89 PSMD14 (0.74) PSMD14STAMBPCOPS5RAB9ANPC1
SCHEMBL18526853 0.86 STAMBP (1.00) PSMD14STAMBPCOPS5
SCHEMBL18539643 0.80 PSMD14 (0.76) PSMD14STAMBPCOPS5RAB9ANPC1
SCHEMBL29563919 0.77 PSMD14 (0.76) PSMD14STAMBPCOPS5
SCHEMBL18539642 0.77 PSMD14 (0.76) PSMD14STAMBPCOPS5
SCHEMBL18539653 0.76 PSMD14 (0.52) PSMD14STAMBPCOPS5MAPT
SCHEMBL18541885 0.76 PSMD14 (0.58) PSMD14STAMBPCOPS5RAB9ANPC1
SCHEMBL18905580 0.75 RAB9A (0.76) PSMD14STAMBPCOPS5RAB9ANPC1
SCHEMBL18526856 0.75 PSMD14 (1.00) PSMD14STAMBPCOPS5RAB9ANPC1
SCHEMBL13978048 0.75 PSMD14 (0.72) PSMD14STAMBPCOPS5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed
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.