SCHEMBL20401651

SCHEMBL20401651

NCCCOCCOCCOCCCNc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CA9 Q16790 15/20 0.58
▸ CA1 P00915 14/20 0.58
▸ CA2 P00918 14/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA14 Q9ULX7 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALPL P05186 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DNASE1L3 Q13609 1/20 0.50
▸ PRMT1 Q99873 1/20 0.50

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
SCHEMBL18163373 0.85 CA9 (0.68) USP2L3MBTL1CA9CA1CA2
SCHEMBL21728989 0.83 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL21151146 0.83 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL24262347 0.81 USP2 (0.68) USP2L3MBTL1CA9CA1CA2
SCHEMBL18517643 0.81 CA9 (0.70) USP2L3MBTL1CA9CA1CA2
SCHEMBL15355564 0.80 USP2 (0.75) USP2L3MBTL1CA9CA1CA2
SCHEMBL14426895 0.80 USP2 (0.68) USP2L3MBTL1CA9CA1CA2
SCHEMBL17522977 0.80 CA9 (0.64) USP2L3MBTL1CA9CA1CA2
SCHEMBL13915130 0.80 CA9 (0.73) USP2L3MBTL1CA9CA1CA2
SCHEMBL18559017 0.80 CA9 (0.60) USP2L3MBTL1CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 — — US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 — — US disclosed
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 — — 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 (2 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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 USP2 2381/4885L3MBTL1 1359/4885CA9 2131/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 USP2 2516/4885L3MBTL1 1406/4885CA9 1957/4885

“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.

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