SCHEMBL1856477

SCHEMBL1856477

CS(=O)(=O)CCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCS(C)(=O)=O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ FFAR1 O14842 9/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HDAC3 O15379 5/20 0.35
▸ HDAC4 P56524 5/20 0.35
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC7 Q8WUI4 5/20 0.35
▸ HDAC2 Q92769 5/20 0.35
▸ HDAC10 Q969S8 5/20 0.35
▸ HDAC11 Q96DB2 5/20 0.35
▸ HDAC8 Q9BY41 5/20 0.35
▸ HDAC6 Q9UBN7 5/20 0.35
▸ HDAC9 Q9UKV0 5/20 0.35
▸ HDAC5 Q9UQL6 5/20 0.35
▸ DHFR P00374 1/20 0.34
▸ CHEK2 O96017 1/20 0.34

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
SCHEMBL12633119 0.89 STAT3 (0.49) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL12668290 0.86 STAT3 (0.46) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL585272 0.85 STAT3 (0.55) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL1854874 0.85 STAT3 (0.55) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL584793 0.84 STAT3 (0.52) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL1861760 0.84 STAT3 (0.52) STAT3STAT1CHEK2
Hydrochloric Acid SCHEMBL584374 0.83 STAT3 (0.51) STAT3STAT1PPARGPPARAHDAC3
Hydrochloric Acid SCHEMBL29883333 0.83 STAT3 (0.51) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL4745594 0.82 STAT3 (0.52) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL17722671 0.82 STAT3 (0.49) STAT3STAT1PPARGPPARAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP claimed
JP-4751068-B2 — — 2011-08-17 — — JP claimed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP claimed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 — — US claimed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 — — EP claimed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 — — WO claimed
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP disclosed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 — — US disclosed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 — — EP disclosed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 — — 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-20060040914-A1 Meso-substituted porphyrins PPOX, PPIF, ALAD STAT3 4208/4885STAT1 3609/4885FFAR1 3955/4885

“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.

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