SCHEMBL1537544

SCHEMBL1537544

O=S(=O)(O)c1ccccc1-c1c2nc(c(-c3ccccc3S(=O)(=O)O)c3ccc([nH]3)c(-c3ccccc3S(=O)(=O)O)c3nc(c(-c4ccccc4S(=O)(=O)O)c4ccc1[nH]4)C=C3)C=C2.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.54
▸ TOP1 P11387 1/20 0.42
▸ CYCS P99999 3/20 0.41
▸ TERT O14746 4/20 0.39
▸ PGAM1 P18669 1/20 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
SCHEMBL1613981 0.98 ENPP2 (0.55) ENPP2TOP1CYCSTERTPGAM1
SCHEMBL30925048 0.97 ENPP2 (0.54) ENPP2TOP1CYCSTERTPGAM1
SCHEMBL1537566 0.97 ENPP2 (0.57) ENPP2TOP1CYCSTERT
SCHEMBL8506340 0.92 ENPP2 (0.59) ENPP2TOP1CYCSTERT
SCHEMBL6513613 0.85 ENPP2 (0.50) ENPP2TOP1CYCSTERT
SCHEMBL9290728 0.82 ENPP2 (0.47) ENPP2TOP1CYCSTERTPGAM1
SCHEMBL1537557 0.82 ENPP2 (0.47) ENPP2TOP1CYCSTERTPGAM1
SCHEMBL5178493 0.82 ENPP2 (0.47) ENPP2TOP1CYCSTERTPGAM1
SCHEMBL4389090 0.81 STAT3 (0.52) ENPP2TOP1CYCSPGAM1
SCHEMBL8351335 0.77 ENPP2 (0.51) ENPP2TOP1CYCSTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 — — 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-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS ENPP2 1541/4885TOP1 2148/4885CYCS 33/4885

“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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