SCHEMBL5630783

SCHEMBL5630783

COC=C(C(=O)O)c1ccccc1COc1nc(C(F)F)sc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
RARA P10276 2/20 0.30
RARB P10826 2/20 0.30
RARG P13631 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
OPRL1 P41146 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
CAPN1 P07384 1/20 0.30

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
SCHEMBL5630779 1.00 RECQL (0.31) RECQLTP53HTTRARARARB
SCHEMBL5628556 0.91 OPRL1 (0.30) OPRL1
SCHEMBL5628547 0.91 OPRL1 (0.30) OPRL1
SCHEMBL5627792 0.85 OPRL1 (0.32) OPRL1
SCHEMBL5627797 0.85 OPRL1 (0.32) OPRL1
SCHEMBL5628832 0.84 MRGPRX4 (0.33) TP53HTTOPRL1
SCHEMBL5628822 0.84 MRGPRX4 (0.33) TP53HTTOPRL1
SCHEMBL5629225 0.82 TP53 (0.32) TP53HTTOPRL1
SCHEMBL5628394 0.82 OPRL1 (0.31) OPRL1
SCHEMBL5629230 0.82 TP53 (0.32) TP53HTTOPRL1

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 5 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

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 RECQL 3558/4885TP53 4639/4885HTT 3598/4885

“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.