SCHEMBL4239369

SCHEMBL4239369

CC(C)(C)OC(=O)N1[C@@H](c2cc(-c3csc(Cl)c3)on2)C[C@H]2C[C@H]21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.34
SCD5 Q86SK9 2/20 0.33
SCD O00767 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4229285 0.85 NPC1 (0.32) SCD5SCDNPC1ALDH1A1CYP1A2
SCHEMBL13871093 0.84 USP30 (0.50) USP30SCD5SCDNPC1ALDH1A1
SCHEMBL13871099 0.81 USP30 (0.41) USP30SCD5SCDNPC1ALDH1A1
SCHEMBL8066206 0.80 USP30 (0.48) USP30ALDH1A1NPSR1HCRTR1HCRTR2
SCHEMBL4237399 0.79 MEN1 (0.30)
SCHEMBL4229120 0.79
SCHEMBL13891249 0.79 SCD5 (0.32) SCD5
SCHEMBL4234730 0.78
SCHEMBL16356417 0.70 ADAM17 (0.46) ALDH1A1RAB9A
SCHEMBL8217845 0.70 ADAM17 (0.46) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 USP30 3540/4885SCD5 446/4885SCD 3004/4885

“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.