SCHEMBL824443

SCHEMBL824443

O=S(=O)(O)c1ccc2c(c1)nc1n2c2nc3cc(S(=O)(=O)O)ccc3n2c2nc3cc(S(=O)(=O)O)ccc3n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP6 P55212 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.37
PTGER4 P35408 1/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SNCA P37840 2/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
NT5E P21589 1/20 0.35

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 0.94 HDAC6 (0.38) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL824451 0.94 HDAC6 (0.38) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL824452 0.86 HDAC6 (0.41) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL13852982 0.85 PTGER4 (0.39) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL14301828 0.84 HDAC6 (0.32) HDAC6PTGER4CASP3
SCHEMBL18818670 0.78 CNR2 (0.46) ALDH1A1LMNASMN1; SMN2TSHRKDM4E
SCHEMBL14300105 0.75 BCL2 (0.49) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL13853074 0.74 ALDH1A1 (0.30) ALDH1A1CYP2C19TSHR
SCHEMBL15906200 0.74 BCL2 (0.48) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL24672647 0.73 CA12 (0.47) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291703-B1 COLOR LIQUID CRYSTAL DISPLAY AND COMPENSATION PANEL CRYSOPTIX KK (JP) 2016-11-30 EP disclosed
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
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
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 ALDH1A1 1696/4885HSD17B10 2693/4885CA12 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.