SCHEMBL5162444

SCHEMBL5162444

CS(=O)(=O)ON=C1C=CC(=O)C(C(=O)O)=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 2/20 0.47
ALOX12 P18054 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
S1PR2 O95136 2/20 0.47
XBP1 P17861 2/20 0.47
MPI P34949 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.31
IKBKB O14920 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
SCHEMBL5162920 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5160518 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5163599 0.75 KDM4E (0.40) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5160406 0.73 KDM4E (0.39) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5162910 0.72 KDM4E (0.40) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5162492 0.72 KDM4E (0.40) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5160660 0.68 KDM4E (0.35) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5160298 0.64 MAPT (1.00) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL5160493 0.64 TTR (0.41) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL28198484 0.63 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US claimed
EP-1399114-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD Wella Aktiengesellschaft (DE) 2004-03-24 EP claimed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US claimed
WO-2002102336-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AKTIENGESELLSCHAFT (DE) 2002-12-27 WO claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US disclosed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 ALDH1A1 380/4885LMNA 599/4885MAPT 661/4885

“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.