SCHEMBL2313229

SCHEMBL2313229

CCCCCCCCCCOc1ccccc1C1=C2C=CC(=N2)C(c2ccc(OCCS(C)(=O)=O)cc2)=C2C=CC(=N2)C(c2ccc(OCCS(C)(=O)=O)cc2)=C2C=CC(=N2)C(c2ccc(OCCS(C)(=O)=O)cc2)=C2C=CC1=N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ PTPN11 Q06124 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RARB P10826 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP19A1 P11511 2/20 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
SCHEMBL1860384 0.87 APP (0.41) PTPN1PTPN11RARBLMNAMAPT
SCHEMBL1859370 0.86 TP53 (0.39) PTPN1PTPN11RAB9ARARBLMNA
Dimethylamine SCHEMBL1865125 0.86 PTPN11 (0.40) PTPN1PTPN11RARBLMNAMAPT
SCHEMBL1861533 0.85 KDM4E (0.43) GCGRMAPK14
Dimethylamine SCHEMBL1860131 0.84 PTPN11 (0.40) PTPN1PTPN11RAB9ALMNAMAPT
SCHEMBL1864510 0.84 ALDH1A1 (0.41) PTPN1
SCHEMBL1855908 0.80 LTA4H (0.38) PTPN1PTPN11LMNAMAPTMEN1
Dimethylamine SCHEMBL1860477 0.76 PTPN11 (0.38) PTPN11CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1858617 0.75 SLC6A4 (0.34) PTPN11SLC6A3LTA4HCYP1A2CYP19A1
SCHEMBL588822 0.75 NR5A1 (0.43) NPC1RAB9ARARBMAPTCYP3A4

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 6 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

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 PTPN1 1494/4885PTPN11 1686/4885NPC1 2445/4885

“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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