SCHEMBL2905863

SCHEMBL2905863

O=C1c2cc(S(=O)(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)cc2C(=O)c2c1c(O)c1ccccc1c2O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
PGAM1 P18669 4/20 0.43
PTPN1 P18031 2/20 0.42
PKLR P30613 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TTR P02766 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HSPD1 P10809 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL12402093 0.86 MEN1 (0.47) POLBGAAGFERPGAM1PTPN1
SCHEMBL13568743 0.80 PGAM1 (0.45) POLBPGAM1PTPN1PKLRTDP1
SCHEMBL8357198 0.76 PGAM1 (0.69) PGAM1PTPN1PKLRMCL1
SCHEMBL2163644 0.76 MEN1 (0.60) HKDC1POLBGAAGFERPGAM1
SCHEMBL2906201 0.75 PGAM1 (0.41) POLBPGAM1PTPN1PKLRTDP1
SCHEMBL2901286 0.75 HSD17B10 (0.53) POLBPKLRTDP1MEN1KMT2A
SCHEMBL9717678 0.75 HKDC1 (0.77) HKDC1POLBGAAGFERMEN1
SCHEMBL29883673 0.74 MEN1 (0.61) POLBPGAM1PTPN1PKLRTDP1
SCHEMBL497005 0.74 MEN1 (0.61) POLBPGAM1PTPN1PKLRTDP1
SCHEMBL2908244 0.74 MEN1 (0.47) POLBTDP1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
EP-1888705-B1 Reversibly thermochromic compositions BASF SE (DE) 2010-08-18 EP disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
EP-1888705-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Specialty Chemicals Holding, Inc. (CH) 2008-02-20 EP disclosed
WO-2006131465-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-14 WO 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-20090302284-A1 Reversibly Thermochromic Compositions DHCR7, NES, DUT HKDC1 436/4885POLB 726/4885GAA 3042/4885

“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.