SCHEMBL18926560

SCHEMBL18926560

Cc1ccc(S(=O)(=O)OCCCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PSMD10 O75832 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FKBP1A P62942 3/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 2/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL2567795 0.95 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PSMD10CYP3A4
SCHEMBL18934371 0.95 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PSMD10CYP3A4
SCHEMBL18926554 0.89 CA2 (0.53) ALDH1A1KMT2AMEN1PSMD10CYP3A4
SCHEMBL7723972 0.88 CNR2 (0.54) GAAALDH1A1KMT2AMEN1PSMD10
SCHEMBL4793354 0.88 FKBP1A (0.52) ALDH1A1KMT2AMEN1PSMD10CYP3A4
SCHEMBL7028389 0.88 CNR2 (0.50) ALDH1A1PSMD10CYP3A4CYP2C9CYP2C19
SCHEMBL18926558 0.87 HTR6 (0.48) GAAALDH1A1KMT2AMEN1PSMD10
SCHEMBL8780852 0.87 FKBP1A (0.53) ALDH1A1KMT2APSMD10FKBP1AHTT
SCHEMBL13649253 0.87 ENPP1 (0.52) ALDH1A1KMT2AMEN1FKBP1AHTT
SCHEMBL11204014 0.85 BCHE (0.51) ALDH1A1KMT2AMEN1PSMD10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 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-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 GAA 3364/4885ALDH1A1 4842/4885KMT2A 2893/4885

“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.