SCHEMBL5886022

SCHEMBL5886022

CCCCCCCCCCCCOC([S])=S

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 2/20 0.47
LPAR3 Q9UBY5 6/20 0.46
LPAR2 Q9HBW0 5/20 0.46
LPAR1 Q92633 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL10853140 1.00 CA12 (0.61) CA12CA1CA2CA9NAAA
SCHEMBL10851189 0.97
SCHEMBL10849187 0.90
SCHEMBL28241458 0.82 CA12 (0.64) CA12CA1CA2CA9NAAA
SCHEMBL4877947 0.80 NAAA (0.64) CA12CA1CA2CA9NAAA
SCHEMBL4875998 0.80 NAAA (0.64) CA12CA1CA2CA9NAAA
SCHEMBL11260431 0.80 CA12 (0.61) CA12CA1CA2CA9NAAA
SCHEMBL4881001 0.80 NAAA (0.64) CA12CA1CA2CA9NAAA
SCHEMBL21063148 0.80 CA12 (0.61) CA12CA1CA2CA9NAAA
SCHEMBL3670555 0.80 CA12 (0.61) CA12CA1CA2CA9NAAA

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 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7004979-B2 Dyeing composition comprising at least one diaminopyrazole oxidation base and at least one pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2006-02-28 US claimed
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2004-12-02 US claimed
EP-0891181-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2003-05-14 EP claimed
US-6551360-B2 Pyrazoline-3,5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process VIDAL LAURENT (FR) 2003-04-22 US claimed
EP-0889718-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRROLO-AZOLE COMPOUNDS, USE THEREOF AS COUPLERS, AND DYEING METHOD OREAL (FR) 2002-09-18 EP claimed
EP-0900074-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRAZOLIN-3,5-DIONE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2002-05-15 EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 US claimed
US-6340372-B1 Compositions for dyeing keratin fibers containing S-oxide-thiazolo-azoles and/or S,S-dioxide-thiazolo-azoles; their use for dyeing as couplers, method of dyeing L'OREAL S.A. (FR) 2002-01-22 US claimed
US-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing L'OREAL S.A. 2001-09-13 US claimed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US claimed
US-6165229-A Imidazoloazole-containing compositions for dyeing keratin fibers; their use in dyeing as couplers; dyeing process L'OREAL (FR) 2000-12-26 US claimed
US-6139589-A HAIR DYES L'OREAL S.A. (FR) 2000-10-31 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
US-6063136-A Compositions containing pyrrolo-oxazole couplers for dyeing keratin fibers and dyeing methods L'OREAL S.A. (FR) 2000-05-16 US claimed
EP-0893985-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2000-04-12 EP claimed
EP-0900074-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRAZOLIN-3,5-DIONE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1999-03-10 EP claimed
EP-0888109-A1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS L'OREAL (FR) 1999-01-07 EP claimed
WO-1997035550-A1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS L'OREAL (FR) 1997-10-02 WO claimed
WO-1997035553-A1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRAZOLIN-3,5-DIONE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1997-10-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing KRT18, KAT7, CBR3 CA12 1094/4885CA1 1412/4885CA2 971/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 CA12 1134/4885CA1 1336/4885CA2 1273/4885
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 CA12 742/4885CA1 732/4885CA2 799/4885

“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.