SCHEMBL35131

SCHEMBL35131

C[S+](C)CCCCS(=O)(=O)OS(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18126472 0.84 USP2 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126342 0.82 USP2 (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29128556 0.73 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126497 0.72 USP2 (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20358142 0.71 ATR (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126351 0.71 USP2 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126495 0.69 CA1 (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126369 0.68 TSHR (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18126353 0.68
SCHEMBL18126406 0.68 ALDH1A1 (0.43) ALDH1A1

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
EP-2473277-B1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION OR ACID-FUNCTIONALIZED IONIC LIQUID UNIV DENMARK TECH DTU (DK) 2019-07-03 EP disclosed
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid UNIV DENMARK TECH DTU (DK) 2017-11-30 US disclosed
EP-2473277-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID Technical University of Denmark (DK) 2012-07-11 EP disclosed
US-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-03-17 US disclosed
WO-2011026860-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID TECHNICAL UNIVERISTY OF DENMARK (DK) 2011-03-10 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 (2 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-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID PDCD2L, PCCA, PDK2 KDM4E 1022/4885USP2 400/4885ALDH1A1 717/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 KDM4E 1022/4885USP2 400/4885ALDH1A1 717/4885

“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.