SCHEMBL824451

SCHEMBL824451

O=S(=O)(O)c1ccc2c(c1)nc1n2c2nc3ccc(S(=O)(=O)O)cc3n2c2nc3ccc(S(=O)(=O)O)cc3n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
CA1 P00915 3/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CASP3 P42574 1/20 0.34
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP6 P55212 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
ACSS2 Q9NR19 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 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
SCHEMBL824422 1.00 HDAC6 (0.38) HDAC6CA1CA12CA2CA9
SCHEMBL824452 0.94 HDAC6 (0.41) HDAC6CA1CA12CA2CASP3
SCHEMBL824443 0.94 ALDH1A1 (0.38) HDAC6CA1CA12CA2CA9
SCHEMBL14301828 0.89 HDAC6 (0.32) HDAC6CASP3PTGER4
SCHEMBL13852982 0.85 PTGER4 (0.39) HDAC6CA1CA12CA2CA9
SCHEMBL18818670 0.73 CNR2 (0.46) ALDH1A1SMN1; SMN2LMNATHRBTSHR
SCHEMBL13853074 0.73 ALDH1A1 (0.30) ALDH1A1CYP2C19TSHR
SCHEMBL29593464 0.72 HDAC6 (0.47) HDAC6CA1CA12CA2ALDH1A1
SCHEMBL21713276 0.72 HDAC6 (0.47) HDAC6CA1CA12CA2ALDH1A1
SCHEMBL824420 0.70 HSD17B10 (0.48) ALDH1A1HSD17B10SMN1; SMN2ACSS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638126-B1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2015-02-18 EP disclosed
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
WO-2012064618-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-18 WO disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed
US-8142863-B2 Color liquid crystal display and compensation panel Crysoptix, KK (JP) 2012-03-27 US disclosed
US-8142863-B2 Color liquid crystal display and compensation panel Crysoptix, KK (JP) 2012-03-27 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 US disclosed
US-20090268136-A1 Color Liquid Crystal Display and Compensation Panel CRYSOPTIX KK (JP) 2009-10-29 US disclosed
WO-2009130676-A2 COLOR LIQUID CRYSTAL DISPLAY AND COMPENSATION PANEL CRYSOPTIX KK (JP) 2009-10-29 WO disclosed
US-20090268136-A1 Color Liquid Crystal Display and Compensation Panel CRYSOPTIX KK (JP) 2009-10-29 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP HDAC6 2873/4885CA1 3948/4885CA12 3681/4885

“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.