SCHEMBL5628822

SCHEMBL5628822

CO/C=C(/C(=O)O)c1ccccc1COc1nc(C(F)(F)F)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
OPRL1 P41146 1/20 0.33
SYK P43405 1/20 0.33
PLK1 P53350 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
CHEK2 O96017 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL5628832 1.00 MRGPRX4 (0.33) MRGPRX4OPRL1SYKPLK1PLK4
SCHEMBL5629230 0.92 TP53 (0.32) MRGPRX4OPRL1SYKTP53HTT
SCHEMBL5627396 0.92 OPRL1 (0.31) MRGPRX4OPRL1SYK
SCHEMBL5629225 0.92 TP53 (0.32) MRGPRX4OPRL1SYKTP53HTT
SCHEMBL5627389 0.92 OPRL1 (0.31) MRGPRX4OPRL1SYK
SCHEMBL5742217 0.91 HIF1A (0.36) OPRL1SYKHIF1A
SCHEMBL5627792 0.91 OPRL1 (0.32) OPRL1SYK
SCHEMBL5627797 0.91 OPRL1 (0.32) OPRL1SYK
SCHEMBL5628853 0.89 HTT (0.34) MRGPRX4OPRL1HIF1ATP53HTT
SCHEMBL5628845 0.89 HTT (0.34) MRGPRX4OPRL1HIF1ATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166620-B2 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2007-01-23 US claimed
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US claimed
US-7166620-B2 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2007-01-23 US disclosed
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP disclosed
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US disclosed
EP-1453817-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2004-09-08 EP disclosed
WO-2003050096-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2003-06-19 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-20050065197-A1 Thiazole derivatives with fungicidal activity CYP51A1, DPM1, GMDS MRGPRX4 2405/4885OPRL1 4875/4885SYK 3652/4885

“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.