SCHEMBL3728409

SCHEMBL3728409

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3nnc(COc4ccccc4Cl)s3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
FFAR1 O14842 6/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 2/20 0.41
NAMPT P43490 1/20 0.41
NR1H2 P55055 1/20 0.39
TMPRSS2 O15393 2/20 0.39
MAP3K5 Q99683 3/20 0.39

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
SCHEMBL3727502 0.85 ESR2 (0.51) ESR2FFAR1NPC1RAB9AJAK2
SCHEMBL3727140 0.85 LMNA (0.49) ESR2NPC1RAB9ANR1H2MAP3K5
SCHEMBL3728485 0.83 ESR2 (0.47) ESR2FFAR1NPC1RAB9ANAMPT
SCHEMBL3729629 0.81 ESR2 (0.47) ESR2NPC1RAB9AJAK2JAK3
SCHEMBL4554891 0.79 FFAR1 (0.44) FFAR1
SCHEMBL3732043 0.78 LMNA (0.48) ESR2NR1H2
SCHEMBL3729473 0.78 ESR2 (0.51) ESR2NPC1RAB9ANR1H2MAP3K5
SCHEMBL3741798 0.78 ESR2 (0.47) ESR2NPC1RAB9ANR1H2
SCHEMBL3728161 0.78 ESR2 (0.47) ESR2NPC1RAB9ANR1H2MAP3K5
Hydrochloric Acid SCHEMBL3725783 0.78 FFAR1 (0.45) FFAR1

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
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ESR2 3678/4885FFAR1 518/4885NPC1 416/4885

“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.