SCHEMBL5369333

SCHEMBL5369333

NC1=NC(=O)c2cccc(S(=O)(=O)O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
STAT3 P40763 1/20 0.39
PGAM1 P18669 1/20 0.37
GNG2 P59768 4/20 0.36
GNB1 P62873 4/20 0.36
DAPK1 P53355 1/20 0.36
CSNK1A1 P48729 2/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1G1 Q9HCP0 2/20 0.36
ADORA2A P29274 2/20 0.36
MAOA P21397 2/20 0.36
FGR P09769 1/20 0.36
PIM1 P11309 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
P2RY4 P51582 1/20 0.35
NQO1 P15559 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL5370259 0.82 TTR (0.41) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL28539453 0.77 PGAM1 (0.40) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL3642843 0.77 PGAM1 (0.40) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL1270794 0.74 STAT3 (0.58) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL24631331 0.73 TTR (0.47) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL24631333 0.73 TTR (0.47) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL11062566 0.72 ADORA2A (0.57) TTRSTAT3PGAM1DAPK1CSNK1A1
SCHEMBL2294438 0.72 ADORA2A (0.61) TTRSTAT3PGAM1GNG2GNB1
SCHEMBL2155220 0.72 STAT3 (0.56) TTRSTAT3PGAM1GNG2GNB1
Water SCHEMBL2155568 0.72 STAT3 (0.56) TTRSTAT3PGAM1GNG2GNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US disclosed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US disclosed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US disclosed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US disclosed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US disclosed
US-6077320-A DYEING HAIR WITHOUT AN OXIDIZER BY REACTION OF HAIR DYE WITH A PRIMARY OR SECONDARY AMINE-FUNCTIONAL COMPOUND IN THE DYE MEDIUM L'OREAL (FR) 2000-06-20 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 TTR 3199/4885STAT3 4363/4885PGAM1 2149/4885

“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.