SCHEMBL4289370

SCHEMBL4289370

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nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.35
SLC7A5 Q01650 2/20 0.33
CTSC P53634 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 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
SCHEMBL7100933 0.87 SLC7A5 (0.38) SPHK1SLC7A5CTSCGABRPGABRD
SCHEMBL7100924 0.87 SLC7A5 (0.38) SPHK1SLC7A5CTSCGABRPGABRD
SCHEMBL5484014 0.77
SCHEMBL24205845 0.75
SCHEMBL16359889 0.75
SCHEMBL21345876 0.75
SCHEMBL23157074 0.75
SCHEMBL13175735 0.75
SCHEMBL25415648 0.74 PLOD2 (0.38)
SCHEMBL25415650 0.74 PLOD2 (0.38)

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-8980311-B2 Liposome-mediated ligation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-03-17 US disclosed
US-20090196916-A1 Chemoselective ligation of hydrophobic reactants in a lipid phase; thioester and cysteine moieties that are involved in the ligation reaction are positioned within the lipid phase such that the ligation reaction takes place within the lipidic structure NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 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-20090196916-A1 Chemoselective ligation of hydrophobic reactants in a lipid phase; thioester and cysteine moieties that are involved in the ligation reaction are positioned within the lipid phase such that the ligation reaction takes place within the lipidic structure LIPA, LYPLA1, LYPLA2 SPHK1 1615/4885SLC7A5 1432/4885CTSC 2163/4885

“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.