SCHEMBL4515162

SCHEMBL4515162

O=S(=O)(Cl)c1cccc(-c2c3nc(c(-c4cccc(S(=O)(=O)Cl)c4Cl)c4ccc([nH]4)c(-c4cccc(S(=O)(=O)Cl)c4Cl)c4nc(c(-c5cccc(S(=O)(=O)Cl)c5Cl)c5ccc2[nH]5)C=C4)C=C3)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.42
▸ TOP1 P11387 2/20 0.38
▸ TERT O14746 3/20 0.37
▸ CYCS P99999 3/20 0.37

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
SCHEMBL6513613 0.88 ENPP2 (0.50) ENPP2TOP1TERTCYCS
SCHEMBL4510674 0.84 STAT3 (0.46) ENPP2
SCHEMBL3289548 0.79 NUDT1 (0.45) ENPP2TOP1TERTCYCS
SCHEMBL1613981 0.75 ENPP2 (0.55) ENPP2TOP1TERTCYCS
SCHEMBL30925048 0.74 ENPP2 (0.54) ENPP2TOP1TERTCYCS
SCHEMBL5178493 0.74 ENPP2 (0.47) ENPP2TOP1TERTCYCS
SCHEMBL1537566 0.74 ENPP2 (0.57) ENPP2TOP1TERTCYCS
SCHEMBL1537557 0.74 ENPP2 (0.47) ENPP2TOP1TERTCYCS
SCHEMBL9290728 0.74 ENPP2 (0.47) ENPP2TOP1TERTCYCS
SCHEMBL1537544 0.74 ENPP2 (0.54) ENPP2TOP1TERTCYCS

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
US-8592404-B2 Derivatives of porphyrin, particularly chlorins and/or bacteriochlorins, and uses thereof in photodynamic therapy UNIVERSIDADE DE COIMBRA (PT) 2013-11-26 — — US disclosed
US-20090149525-A1 NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND/OR BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY UNIVERSIDADE DE COIMBRA (PT) 2009-06-11 — — US disclosed
EP-1811994-B1 NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY UNIV DE COIMBRA (PT) 2008-06-25 — — EP disclosed
EP-1811994-A1 NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND/OR BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY Universidade de Coimbra (PT) 2007-08-01 — — EP disclosed
WO-2006053707-A1 NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND/OR BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY UNIVERSIDADE DE COIMBRA (PT) 2006-05-26 — — 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-20090149525-A1 NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND/OR BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY PPOX, PYCR1, XPA ENPP2 2193/4885TOP1 1685/4885TERT 2777/4885

“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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