SCHEMBL5628853

SCHEMBL5628853

COC=C(C(=O)O)c1ccccc1COc1nc(C(F)(F)F)sc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
MRGPRX4 Q96LA9 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
OPRL1 P41146 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
HIF1A Q16665 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
SCHEMBL5628845 1.00 HTT (0.34) HTTTP53MRGPRX4ALDH1A1MAPT
SCHEMBL5628832 0.89 MRGPRX4 (0.33) HTTTP53MRGPRX4OPRL1HIF1A
SCHEMBL5628822 0.89 MRGPRX4 (0.33) HTTTP53MRGPRX4OPRL1HIF1A
SCHEMBL5628053 0.87 MRGPRX4 (0.33) MRGPRX4OPRL1HIF1A
SCHEMBL5628065 0.87 MRGPRX4 (0.33) MRGPRX4OPRL1HIF1A
SCHEMBL5655161 0.85 HCRTR1 (0.32)
SCHEMBL5655174 0.85 HCRTR1 (0.32)
SCHEMBL5629225 0.83 TP53 (0.32) HTTTP53MRGPRX4MAPTOPRL1
SCHEMBL5629230 0.83 TP53 (0.32) HTTTP53MRGPRX4MAPTOPRL1
SCHEMBL5627389 0.82 OPRL1 (0.31) MRGPRX4OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 3598/4885TP53 4639/4885MRGPRX4 2405/4885

“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.