SCHEMBL18655677

SCHEMBL18655677

CCCCCCCCCCCCOC(=O)C[N+](C)(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
RAD52 P43351 2/20 0.52
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.44
FAAH O00519 1/20 0.38
MAPT P10636 2/20 0.38
PLA2G1B P04054 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMD14 O00487 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL18631573 0.88 NPSR1 (0.51) NPSR1RAD52LMNAHTTSMN1; SMN2
SCHEMBL18640443 0.80 NPSR1 (0.61) NPSR1RAD52LMNAHTTSMN1; SMN2
SCHEMBL18655679 0.80 RAD52 (0.40) NPSR1RAD52NAAAMAPTEPHX1
SCHEMBL10934552 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL6242053 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL10937702 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL10933452 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL10934245 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL11770996 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B
SCHEMBL10935342 0.77 PLA2G1B (0.53) RAD52LMNAHTTSMN1; SMN2PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079898-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ALKYL-ALKANOYLAMIDES and/or ALKYL ALKANOATES KENVUE BRANDS LLC 2017-03-23 US disclosed
WO-2017048555-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ALKYL-ALKANOYLAMIDES AND/OR ALKYL ALKANOATES JOHNSON & JOHNSON CONSUMER INC. (US) 2017-03-23 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-20170079898-A1 COMPOSITIONS COMPRISING ZWITTERIONIC ALKYL-ALKANOYLAMIDES and/or ALKYL ALKANOATES ANXA1, ANXA11, ANXA3 NPSR1 3266/4885RAD52 1527/4885LMNA 1474/4885

“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.