Sugi Predict

Sugi Predict / Compounds / SCHEMBL13454448

SCHEMBL13454448

SCHEMBL13454448

OCC1O[C@@H](Oc2cccc(-c3c4nc(c(-c5cccc(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)c5)c5ccc([nH]5)c(-c5cccc(OC6O[C@H](CO)C(O)[C@@H](O)[C@H]6O)c5)c5nc(c(-c6cccc(O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)c6)c6ccc3[nH]6)[C@@H](O)[C@H]5O)C=C4)c2)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.42
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39

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
SCHEMBL17676524 1.00 TYR (0.42) TYRATMPOLBSLC5A2
SCHEMBL13469647 1.00 TYR (0.42) TYRATMPOLBSLC5A2
SCHEMBL17676268 0.96 TYR (0.41) TYRPOLB
SCHEMBL24218341 0.94 TYR (0.46) TYRATMPOLBSLC5A2
SCHEMBL22111092 0.94 TYR (0.46) TYRATMPOLBSLC5A2
SCHEMBL13469658 0.92 SLC5A2 (0.37) TYRATMSLC5A2
SCHEMBL17676531 0.92 SLC5A2 (0.37) TYRATMSLC5A2
SCHEMBL24218349 0.92 SLC5A2 (0.37) TYRATMSLC5A2
SCHEMBL13469661 0.92 SLC5A2 (0.37) TYRATMSLC5A2
SCHEMBL17676530 0.92 SLC5A2 (0.37) TYRATMSLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308185-B2 Glyco-substituted dihydroxy-chlorins and β-functionalized chlorins for anti-microbial photodynamic therapy BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-12 — — US disclosed
US-20120263625-A1 GLYCO-SUBSTITUTED DIHYDROXY-CHLORINS AND ß-FUNCTIONALIZED CHLORINS FOR ANTI-MICROBIAL PHOTODYNAMIC THERAPY CERAMOPTEC INDUSTRIES, INC. 2012-10-18 — — 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-20120263625-A1 GLYCO-SUBSTITUTED DIHYDROXY-CHLORINS AND ß-FUNCTIONALIZED CHLORINS FOR ANTI-MICROBIAL PHOTODYNAMIC THERAPY DDT, CD2, HBG1 TYR 53/4885ATM 4010/4885POLB 1279/4885

“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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