SCHEMBL2535181

SCHEMBL2535181

CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
METAP2 P50579 2/20 0.39
WDR5 P61964 1/20 0.38
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 1/20 0.36
MEP1B Q16820 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2540826 0.85 VCAM1 (0.42) ALDH1A1LMNATSHRKMT2AMEP1B
SCHEMBL3918873 0.83 ALDH1A1 (0.39) ALDH1A1LMNAMETAP2WDR5KMT2A
SCHEMBL2538476 0.82 LMNA (0.54) ALDH1A1LMNATSHRWDR5MAPK1
SCHEMBL2536209 0.77 CYP3A4 (0.39) ALDH1A1LMNATSHRCA12CA9
SCHEMBL2538158 0.77 CA12 (0.47) ALDH1A1TSHRCA12CA9METAP2
SCHEMBL11174978 0.75 AKR1C3 (0.59) LMNACA9CA2KMT2A
SCHEMBL2540297 0.74 CA12 (0.47) ALDH1A1LMNATSHRCA12CA9
SCHEMBL13614102 0.74 MEN1 (0.57) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL3530381 0.74 CA2 (0.46) ALDH1A1CA12CA9CA2CA4
SCHEMBL13451131 0.74 CYP1A2 (0.59) ALDH1A1LMNAWDR5MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN ALDH1A1 2969/4885LMNA 4383/4885TSHR 772/4885

“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.