Sugi Predict

Sugi Predict / Compounds / SCHEMBL17686830

SCHEMBL17686830

SCHEMBL17686830

CCCCCCCCCCCCOCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 2/20 0.44
▸ PLA2G1B P04054 2/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ ATG4B Q9Y4P1 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ RECQL P46063 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ LPAR5 Q9H1C0 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAD52 P43351 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
SCHEMBL17686828 0.97 PSMD14 (0.44) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL11146466 0.90 PSMD14 (0.43) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL15056639 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL7939358 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL20303955 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL7776658 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL10934543 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL10934544 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL22691367 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL10935310 0.89 PLA2G1B (0.51) PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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-3209276-B1 COMPOSITIONS COMPRISING ZWITTERIONIC ESTER AMMONIOALKANOATES JOHNSON & JOHNSON CONSUMER INC (US) 2020-04-29 — — EP disclosed
US-9877904-B2 Compositions comprising zwitterionic ester ammonioalkanoates containing a heterocyclic group JOHNSON & JOHNSON CONSUMER INC. (US) 2018-01-30 — — US disclosed
US-20160271034-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ESTER AMMONIOALKANOATES KENVUE BRANDS LLC 2016-09-22 — — US disclosed
US-9381147-B2 Compositions comprising zwitterionic ester ammonioalkanoates JOHNSON & JOHNSON CONSUMER INC. (US) 2016-07-05 — — US disclosed
US-20160106647-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ESTER AMMONIOALKANOATES KENVUE BRANDS LLC 2016-04-21 — — 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 (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-20160106647-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ESTER AMMONIOALKANOATES ANXA1, ANXA3, ANXA11 PSMD14 2697/4885PLA2G1B 295/4885MMP2 2406/4885
US-20160271034-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ESTER AMMONIOALKANOATES ANXA1, ANXA3, ANXA11 PSMD14 2697/4885PLA2G1B 295/4885MMP2 2406/4885

“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.