SCHEMBL811796

SCHEMBL811796

O=S(=O)(c1ccc(OCCO)cc1)c1ccc(-c2ccc(SCCO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.54
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA7 P43166 4/20 0.54
CA13 Q8N1Q1 2/20 0.54
ALDH1A1 P00352 4/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
RECQL P46063 1/20 0.40
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL811362 1.00 CA2 (0.54) CA2CA12CA1CA7CA13
SCHEMBL811988 0.89 CA2 (0.66) CA2CA12CA1CA7CA13
SCHEMBL811899 0.87 ALDH1A1 (0.55) CA2CA12CA1CA7ALDH1A1
SCHEMBL811463 0.87 ALDH1A1 (0.55) CA2CA12CA1CA7ALDH1A1
SCHEMBL34118 0.84 ALDH1A1 (0.58) CA2CA12CA1CA7ALDH1A1
SCHEMBL2637714 0.84 ALDH1A1 (0.58) CA2CA12CA1CA7ALDH1A1
SCHEMBL3137976 0.84 CA2 (0.72) CA2CA12CA1CA7CA13
Ethylene Glycol SCHEMBL8592846 0.82 ALDH1A1 (0.56) CA2CA12CA1CA7ALDH1A1
SCHEMBL822501 0.81 ALDH1A1 (0.51) CA2CA12CA1CA7ALDH1A1
SCHEMBL15890449 0.79 ALDH1A1 (0.53) CA2CA12CA1CA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47556-E1 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2019-08-06 US disclosed
US-RE47556-E1 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2019-08-06 US disclosed
EP-2390684-B1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KK (JP) 2019-04-24 EP disclosed
US-RE47000-E1 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2018-08-21 US disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20140031582-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140031582-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140031582-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-8569541-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-8569541-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-8569541-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
EP-2390684-A2 Optical element compound, optical material, and optical element Canon Kabushiki Kaisha (JP) 2011-11-30 EP disclosed
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-11-24 US disclosed
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-11-24 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 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 (2 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 CA2 258/4885CA12 2843/4885CA1 2500/4885
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CENPE, AXIN2, CCNE2 CA2 1324/4885CA12 185/4885CA1 800/4885

“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.