SCHEMBL17264165

SCHEMBL17264165

NC(Cc1ccc(B(O)O)cc1)OC=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSK P41240 1/20 0.50
F11 P03951 1/20 0.43
LPL P06858 6/20 0.40
LIPG Q9Y5X9 6/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
ENPP2 Q13822 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL18347157 0.81 TAAR1 (0.50) SLC7A5
SCHEMBL18647241 0.77 CSK (0.54) CSKF11LPLLIPGKDM4E
SCHEMBL10201264 0.77 AGXT (0.39) CA1CA2SLC6A4
SCHEMBL15802699 0.77 EPHX1 (0.56) SLC6A4SLC7A5
SCHEMBL12015253 0.73 SLC6A4 (0.32) SLC6A4
SCHEMBL14666765 0.72 ITGB3 (0.35) SLC6A4
SCHEMBL14666766 0.72 NQO1 (0.45) CA1CA2
SCHEMBL21350258 0.71 PTPN1 (0.35) SLC6A4
SCHEMBL24861513 0.71 CSK (0.54) CSKF11LPLLIPGCA1
SCHEMBL22403249 0.71 CSK (0.54) CSKF11LPLLIPGCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065993-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-03-08 US disclosed
US-9758533-B2 Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-09-12 US disclosed
US-20150329568-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-19 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-20180065993-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH BLVRB, BTD, BCAT1 CSK 527/4885F11 1383/4885LPL 4610/4885
US-20150329568-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH BLVRB, BCAT1, BCAT2 CSK 410/4885F11 1316/4885LPL 4604/4885

“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.