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Sugi Predict / Compounds / SCHEMBL4000084

SCHEMBL4000084

SCHEMBL4000084

CC(C)CC(C)OC(=O)C(=Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ITGB1 P05556 2/20 0.35
▸ ITGA5 P08648 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ GLA P06280 1/20 0.33

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
SCHEMBL4000082 0.93 MEN1 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4007800 0.85 TP53 (0.41) MEN1KMT2ATP53LMNAMAPT
SCHEMBL12663975 0.82 MEN1 (0.56) MEN1KMT2ATP53LMNAMAPT
SCHEMBL12663967 0.82 MEN1 (0.56) MEN1KMT2ATP53LMNAMAPT
SCHEMBL5010728 0.82 MAPT (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4007797 0.77 MEN1 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL14433039 0.77 TP53 (0.44) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL435678 0.76 KDM4E (0.46) MEN1KMT2ATP53LMNAMAPT
SCHEMBL3224035 0.75 MEN1 (0.55) MEN1KMT2ATP53LMNAMAPT
SCHEMBL11815879 0.75 GRIK1 (0.42) MEN1KMT2ATP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS L'OREAL (FR) 2013-01-10 — — US disclosed
US-8323624-B2 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2012-12-04 — — US disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 — — WO disclosed
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds L'OREAL (FR) 2008-01-10 — — US disclosed
US-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds L'OREAL, PARIS, FRANCE 2007-09-20 — — US disclosed
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds L'OREAL (FR) 2007-08-23 — — US disclosed
US-7217821-B2 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2007-05-15 — — US disclosed
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2006-03-02 — — US disclosed
US-20040234464-A1 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2004-11-25 — — 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 (6 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-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds NISCH, SUN2, CDC73 MEN1 2458/4885KMT2A 2415/4885TP53 56/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST MEN1 3562/4885KMT2A 515/4885TP53 82/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST MEN1 3562/4885KMT2A 515/4885TP53 82/4885
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds NISCH, SUN2, ERCC5 MEN1 2386/4885KMT2A 2590/4885TP53 52/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH MEN1 2622/4885KMT2A 1366/4885TP53 23/4885
US-20040234464-A1 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds TYR, MSH6, ERCC5 MEN1 1974/4885KMT2A 2460/4885TP53 49/4885

“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.