SCHEMBL15340501

SCHEMBL15340501

CC(C)Cc1ccc([C@@H](C)C(=O)NCCS(C)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.66
CXCR2 P25025 3/20 0.66
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA4 P22748 4/20 0.64
CA9 Q16790 4/20 0.64
CHRM1 P11229 1/20 0.60
PDE4A P27815 1/20 0.60
TRPV1 Q8NER1 2/20 0.56
APP P05067 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL15340500 1.00 CXCR1 (0.66) CXCR1CXCR2CA12CA1CA2
SCHEMBL15369139 0.89 CA12 (0.64) CXCR1CXCR2CA12CA1CA2
SCHEMBL12608940 0.89 CA12 (0.64) CXCR1CXCR2CA12CA1CA2
SCHEMBL15343987 0.89 CA12 (0.64) CXCR1CXCR2CA12CA1CA2
SCHEMBL918413 0.84 CA12 (0.62) CXCR1CXCR2CA12CA1CA2
Mabuprofen SCHEMBL51633 0.82 CHRM1 (0.67) CXCR1CXCR2CA12CA1CA2
SCHEMBL6675668 0.81 CHRM1 (0.65) CXCR1CXCR2CA12CA1CA2
SCHEMBL6069869 0.81 CHRM1 (0.65) CXCR1CXCR2CA12CA1CA2
SCHEMBL12613755 0.81 CHRM1 (0.65) CXCR1CXCR2CA12CA1CA2
SCHEMBL24045921 0.80 TRPV1 (0.64) CXCR1CXCR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 CXCR1 4600/4885CXCR2 3532/4885CA12 4268/4885

“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.