SCHEMBL18539643

SCHEMBL18539643

O=C(NCCc1cccs1)c1cnc2c(S)cccc2c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 8/20 0.76
STAMBP O95630 8/20 0.76
COPS5 Q92905 6/20 0.76
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TAAR1 Q96RJ0 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 2/20 0.49
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
ROCK2 O75116 1/20 0.46
HPGD P15428 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18539639 0.89 PSMD14 (0.74) PSMD14STAMBPCOPS5RAB9ASMN1; SMN2
SCHEMBL18526857 0.86 STAMBP (1.00) PSMD14STAMBPCOPS5
SCHEMBL29563919 0.84 PSMD14 (0.76) PSMD14STAMBPCOPS5
SCHEMBL18539642 0.84 PSMD14 (0.76) PSMD14STAMBPCOPS5
SCHEMBL18539641 0.80 PSMD14 (0.76) PSMD14STAMBPCOPS5NPC1RAB9A
SCHEMBL18539653 0.78 PSMD14 (0.52) PSMD14STAMBPCOPS5MAPTKDM4E
SCHEMBL18539656 0.78 MAPK1 (0.59) PSMD14STAMBPCOPS5TAAR1LMNA
SCHEMBL18539640 0.77 PSMD14 (0.75) PSMD14STAMBPCOPS5ROCK2
SCHEMBL18539655 0.76 PSMD14 (0.49) PSMD14STAMBPCOPS5NPC1LMNA
SCHEMBL19654542 0.75 NPC1 (0.65) PSMD14STAMBPCOPS5NPC1RAB9A

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.