SCHEMBL16421785

SCHEMBL16421785

CSCCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.61
▸ CA1 P00915 15/20 0.61
▸ CA2 P00918 15/20 0.61
▸ USP2 O75604 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CA12 O43570 6/20 0.59
▸ CA14 Q9ULX7 2/20 0.58
▸ CA7 P43166 2/20 0.56
▸ DNASE1L3 Q13609 1/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALPI P09923 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ESR1 P03372 1/20 0.51

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
SCHEMBL15150500 0.91 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL15145504 0.91 CA9 (0.63) CA9CA1CA2USP2L3MBTL1
SCHEMBL18595016 0.91 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL14527509 0.88 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL17067944 0.88 CA9 (0.61) CA9CA1CA2USP2L3MBTL1
SCHEMBL14426895 0.86 USP2 (0.68) CA9CA1CA2USP2L3MBTL1
5-Iodoacetamidofluorescein SCHEMBL10146553 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL12793932 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL15372440 0.86 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL14401673 0.86 CA9 (0.61) CA9CA1CA2USP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586916-B2 Integrin antagonist conjugates for targeted delivery to cells expressing alpha-V-beta-3 HOFFMANN-LA ROCHE INC. (US) 2017-03-07 — — US disclosed
US-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 — — US disclosed
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN-LA ROCHE INC. (US) 2015-02-05 — — US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 — — 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 (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-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 ITGAV, ITGA1, ITGA4 CA9 2803/4885CA1 3280/4885CA2 3419/4885
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 ITGB3, ITGAV, ITGB1 CA9 2276/4885CA1 2230/4885CA2 2235/4885

“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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