SCHEMBL2906201

SCHEMBL2906201

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 3/20 0.41
PKLR P30613 6/20 0.40
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TTR P02766 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2902113 0.90 CA2 (0.40) PGAM1PKLRPTPN1KDM4EMEN1
SCHEMBL2906203 0.89 TDP1 (0.40) PGAM1PKLRPTPN1KDM4EMEN1
SCHEMBL13568736 0.89 CA2 (0.39) PGAM1PKLRPTPN1KDM4EMEN1
SCHEMBL2906943 0.82 KDM4E (0.43) PGAM1KDM4EMAPTALDH1A1THRB
SCHEMBL2904057 0.82 KDM4E (0.43) PGAM1KDM4EMAPTALDH1A1THRB
SCHEMBL13568743 0.78 PGAM1 (0.45) PGAM1PKLRPTPN1KDM4EMEN1
SCHEMBL2908408 0.76 CA2 (0.39) PGAM1PKLRKDM4EALDH1A1HPGD
SCHEMBL2905863 0.75 HKDC1 (0.47) PGAM1PKLRPTPN1KDM4EMEN1
SCHEMBL2906564 0.73 S100A4 (0.46) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL29883673 0.72 MEN1 (0.61) PGAM1PKLRPTPN1KDM4EMEN1

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 PGAM1 3060/4885PKLR 4320/4885PTPN1 3684/4885

“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.