SCHEMBL2946340

SCHEMBL2946340

CC(C)(C)OC(=O)Nc1nc(C(=O)O)c(-c2cccc(OCc3ccccc3)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
NR4A2 P43354 2/20 0.41
LCK P06239 2/20 0.41
DHODH Q02127 3/20 0.41
MAOB P27338 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SCD O00767 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL13398657 0.84 LCK (0.48) LCK
SCHEMBL1715500 0.83 PTGER1 (0.43) LCK
SCHEMBL1715610 0.82 ADORA2A (0.51) PTPN1LCKSCD
SCHEMBL5767790 0.81 MEN1 (0.60)
SCHEMBL27774525 0.80 DHODH (0.53) PTPN1NR1H4MRGPRX4NR4A2DHODH
SCHEMBL8282581 0.76 PTGER1 (0.40) LCKAURKARPS6KB1
SCHEMBL2953087 0.76 GAA (0.41) LCK
SCHEMBL19974144 0.75 GAA (0.59) LCK
SCHEMBL19974156 0.75 LCK (0.47) LCK
SCHEMBL22920172 0.75 PDK1 (0.65) NR1H4PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759377-B2 Acylaminothiazole derivatives and use thereof as beta-amyloid inhibitors SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20080176911-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
US-7371770-B2 Acylaminothiazole derivatives and use thereof as β-amyloid inhibitors SANOFIAVENTIS (FR) 2008-05-13 US disclosed
US-20060293366-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI-AVENTIS (FR) 2006-12-28 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-20080176911-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS APP, BACE1, ATG4A PTPN1 4167/4885NR1H4 3340/4885MRGPRX4 2425/4885
US-20060293366-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS APP, BACE1, ATG4A PTPN1 4167/4885NR1H4 3340/4885MRGPRX4 2425/4885

“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.