SCHEMBL13327502

SCHEMBL13327502

CCOC(=O)C(CSSCC(NC(=O)C[n+]1ccc(/C=C/c2ccc(N3CCC(O)C3)cc2)cc1)C(=O)OCC)NC(=O)C[n+]1ccc(/C=C/c2ccc(N3CCC(O)C3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.34
▸ WDR91 A4D1P6 1/20 0.34
▸ P2RY12 Q9H244 4/20 0.33
▸ CYP17A1 P05093 2/20 0.32
▸ CYP21A2 P08686 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ LGMN Q99538 2/20 0.32
▸ ACACB O00763 4/20 0.32
▸ RORC P51449 3/20 0.32
▸ HTT P42858 1/20 0.31
▸ ACHE P22303 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
SCHEMBL19649074 0.98 ACACB (0.35) PHGDHWDR91P2RY12CYP17A1CYP21A2
SCHEMBL21005460 0.97 PHGDH (0.33) PHGDHWDR91P2RY12CYP17A1CYP21A2
SCHEMBL13327519 0.91 PHGDH (0.35) PHGDHWDR91P2RY12CYP17A1CYP21A2
SCHEMBL13327499 0.90 ACACB (0.33) PHGDHCYP17A1CYP21A2CYP11B1ACACB
SCHEMBL13327506 0.89 PHGDH (0.37) PHGDHWDR91P2RY12RORC
SCHEMBL19649072 0.88 — —
SCHEMBL19903955 0.84 ACHE (0.33) PHGDHCYP17A1CYP21A2CYP11B1ACACB
SCHEMBL18774380 0.82 ACHE (0.31) ACACBACHE
SCHEMBL13327520 0.82 ACHE (0.31) PHGDHCYP17A1CYP21A2CYP11B1ACACB
SCHEMBL13799669 0.81 — —

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-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — 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 1031/4885WDR91 3430/4885P2RY12 4795/4885

“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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