SCHEMBL6494472

SCHEMBL6494472

CC(C)(C)OC(=O)N1C(CCc2ccsc2)COC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
HSD11B2 P80365 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
NAAA Q02083 1/20 0.32
NR1I2 O75469 3/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL14350826 0.84 SPHK1 (0.42) SPHK1BRD4HSD11B2GPR119
SCHEMBL14338696 0.84 SPHK1 (0.42) SPHK1BRD4HSD11B2GPR119
SCHEMBL6924329 0.84 SPHK1 (0.42) SPHK1BRD4HSD11B2GPR119
SCHEMBL6196321 0.84 GRM2 (0.37) CYP1A2CYP2C9CYP2C19CNR1CNR2
SCHEMBL6194742 0.84 GRM2 (0.37) CYP1A2CYP2C9CYP2C19CNR1CNR2
SCHEMBL7686350 0.84 SPHK1 (0.41) SPHK1BRD4HSD11B2
SCHEMBL6196335 0.83 CTSS (0.34) TP53LMNACTSSCTSKCYP1A2
SCHEMBL502795 0.83 SPHK1 (0.41) SPHK1BRD4LMNAHSD11B2GPR119
SCHEMBL3617796 0.83 SPHK1 (0.41) SPHK1BRD4HSD11B2CNR1CNR2
SCHEMBL3617792 0.83 SPHK1 (0.41) SPHK1BRD4HSD11B2CNR1CNR2

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-6872740-B2 Use of 2-amino-4-heteroarylethyl-thiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase AVENTIS PHARMA S.A. (FR) 2003-12-04 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-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase PTGS1, PTGIS, NOS1 SPHK1 772/4885BRD4 1263/4885TP53 4349/4885

“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.