SCHEMBL4408616

SCHEMBL4408616

COC(=O)c1ccc(C(=NO)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.56
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.49

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
SCHEMBL13954043 0.83 LOXL2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28561085 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28531063 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28045001 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28704033 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28993277 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Ammonia Solution, Strong SCHEMBL28873355 0.81 CA1 (0.76) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
EP-1778625-A1 NON-GLYCOSIDIC AND NON-PEPTIDIC SELECT INHIBITORS, AND THE USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2007-05-02 EP disclosed
WO-2006010598-A1 NON-GLYCOSIDIC AND NON-PEPTIDIC SELECT INHIBITORS, AND THE USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2006-02-02 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-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof VCAM1, ICAM1, SELPLG CA1 1636/4885CA2 3425/4885CA12 2491/4885

“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.