SCHEMBL4607095

SCHEMBL4607095

CCC(C)C(N=C=O)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 2/20 0.32
POLB P06746 2/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
MIF P14174 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 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
SCHEMBL4607090 1.00 CA1 (0.35) CA1CA2CA14SMN1; SMN2CA12
SCHEMBL14405592 1.00 CA1 (0.35) CA1CA2CA14SMN1; SMN2CA12
SCHEMBL23709869 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12485083 0.81 CTSS (0.38) NOS3NOS1NOS2
SCHEMBL733523 0.80 SMN1; SMN2 (0.41) CA14SMN1; SMN2CA12CA7CA9
SCHEMBL1439238 0.80 SMN1; SMN2 (0.41) CA14SMN1; SMN2CA12CA7CA9
SCHEMBL30771497 0.80 SMN1; SMN2 (0.41) CA14SMN1; SMN2CA12CA7CA9
SCHEMBL10201896 0.79 SMN1; SMN2 (0.35) CA14SMN1; SMN2CA12
SCHEMBL1439235 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1188859 0.79 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
EP-1265603-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1265603-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-28 EP disclosed
US-6767922-B2 ADMINISTERING N-(3-AMINOSULFONYL-2-HYDROXYPHENYL)-UREA DERIVATIVES; TREATMENT OF RESPIRATORY AND NERVOUS SYSTEM DISORDERS; ARTHRITIS, ASTHMA; VIRICIDES SMITHKLINE BEECHAM CORPORATION 2004-07-27 US disclosed
US-20030065188-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
EP-1265603-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-18 EP disclosed
WO-2001068570-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
EP-0207358-A2 Growth-promoting agent BAYER AG (DE) 1987-01-07 EP 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-20030065188-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN CA1 3382/4885CA2 3402/4885CA14 3585/4885

“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.