SCHEMBL18063371

SCHEMBL18063371

C=CCCCOS(N)(=O)=O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.75
CA9 Q16790 16/20 0.75
CA1 P00915 19/20 0.61
CA12 O43570 5/20 0.58
CA7 P43166 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA3 P07451 4/20 0.58
CA4 P22748 4/20 0.58
CA6 P23280 4/20 0.58
CA5A P35218 4/20 0.58
CA5B Q9Y2D0 4/20 0.58

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
SCHEMBL17365158 0.86
SCHEMBL6621065 0.77 ALDH1A1 (0.61) CA2CA9CA1CA12CA7
SCHEMBL5571140 0.77 CA2 (0.45) CA2CA9CA1CA12CA7
SCHEMBL786527 0.77 CA2 (0.45) CA2CA9CA1
SCHEMBL11593779 0.77 CA2 (0.88) CA2CA9CA1CA12CA7
SCHEMBL11593067 0.77 CA1 (1.00) CA2CA9CA1CA12CA7
SCHEMBL6406658 0.76 CA2 (0.43) CA2CA9CA1
SCHEMBL3477178 0.76 TSHR (0.50) CA2CA9CA1CA12CA7
SCHEMBL10352171 0.75 CA1 (1.00) CA2CA9CA1CA12CA7
SCHEMBL11592269 0.75 CA1 (1.00) CA2CA9CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 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-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION BET1, PLEC, NUDC CA2 1192/4885CA9 517/4885CA1 555/4885

“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.