SCHEMBL13327497

SCHEMBL13327497

O=C(C[n+]1ccc(/C=C/c2ccc(N3CC(O)C(O)C3)cc2)cc1)NC(CSSCC(NC(=O)C[n+]1ccc(/C=C/c2ccc(N3CC(O)C(O)C3)cc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PIN1 Q13526 2/20 0.31
▸ ACHE P22303 2/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31

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
SCHEMBL19649010 0.91 PHGDH (0.31) PHGDHACHE
SCHEMBL13327512 0.89 FNTA (0.34) PHGDHKDM4EMAPTACHE
SCHEMBL13327506 0.89 PHGDH (0.37) PHGDHPIN1
SCHEMBL13327499 0.88 ACACB (0.33) PHGDHACHE
SCHEMBL18774305 0.88 — —
SCHEMBL19649009 0.86 — —
SCHEMBL19903958 0.82 PTGS2 (0.39) MAPTACHE
SCHEMBL19903955 0.82 ACHE (0.33) PHGDHACHE
SCHEMBL13327535 0.82 CNR1 (0.32) —
SCHEMBL18774380 0.80 ACHE (0.31) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — EP disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 — — US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 — — 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-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA PHGDH 1031/4885KDM4E 2855/4885MAPT 566/4885

“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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