Sugi Predict

Sugi Predict / Compounds / SCHEMBL15534783

SCHEMBL15534783

SCHEMBL15534783

O=S(=O)(O)c1ccc(-c2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ NFE2L2 Q16236 2/20 0.36
▸ PELI1 Q96FA3 2/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL6330118 0.91 CYP2D6 (0.41) PTPN1PTPN6NFE2L2MAOAMAOB
SCHEMBL4931546 0.90 TSHR (0.42) PTPN1PTPN6NFE2L2MAOAMAOB
SCHEMBL1539831 0.88 PTPN1 (0.43) PTPN1PTPN6NFE2L2PELI1MAOA
SCHEMBL29990836 0.86 PTPN1 (0.44) PTPN1PTPN6NFE2L2PELI1CASP1
SCHEMBL28377435 0.86 PTPN1 (0.44) PTPN1PTPN6NFE2L2PELI1CASP1
SCHEMBL30835513 0.81 PTPN1 (0.40) PTPN1PTPN6NFE2L2PELI1MAOA
(Z)-1,2-Diphenylethene SCHEMBL27449534 0.80 PTPN1 (0.47) PTPN1PTPN6PELI1CASP1SMN1; SMN2
SCHEMBL1170845 0.78 MAOA (0.44) PTPN1PTPN6PELI1MAOAMAOB
SCHEMBL4238183 0.76 MAOA (0.45) PTPN1PTPN6PELI1MAOAMAOB
(Z)-1,2-Diphenylethene SCHEMBL28265888 0.76 PTPN1 (0.44) PTPN1PTPN6NFE2L2PELI1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839591-B2 Anionic dye or brightener bearing an ammonium or phosphonium counterion, dye composition comprising them and process for dyeing keratin fibres using these dyes L'OREAL (FR) 2017-12-12 — — US disclosed
US-20150113742-A1 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2015-04-30 — — US disclosed
EP-2854749-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'Oréal (FR) 2015-04-08 — — EP disclosed
WO-2013175002-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2013-11-28 — — WO 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-20150113742-A1 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES KRT18, IK, COL14A1 PTPN1 3237/4885PTPN6 2965/4885NFE2L2 4862/4885

“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.