SCHEMBL16088360

SCHEMBL16088360

CC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)O2

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.50
▸ ABCC9 O60706 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
SCHEMBL10886662 0.85 ABCC9 (0.58) ABCC9
SCHEMBL16027515 0.83 ABCC9 (0.56) ABCC9
SCHEMBL4183551 0.81 ABCB1 (0.50) ABCB1ABCC9
SCHEMBL4183553 0.81 ABCB1 (0.50) ABCB1ABCC9
SCHEMBL9359250 0.80 ABCC9 (0.52) ABCB1ABCC9
SCHEMBL9359246 0.80 ABCC9 (0.52) ABCB1ABCC9
SCHEMBL9359239 0.80 ABCC9 (0.52) ABCB1ABCC9
SCHEMBL27908188 0.80 ABCC9 (0.53) ABCC9
SCHEMBL8343672 0.79 ABCC9 (0.64) ABCC9
SCHEMBL3303489 0.79 ABCC9 (0.64) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115147-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2016-04-28 — — US disclosed
US-20160115147-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2016-04-28 — — US disclosed
US-20160016929-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED 2016-01-21 — — US disclosed
US-20160016929-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED 2016-01-21 — — US disclosed
US-20140275068-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 — — US disclosed
US-20140275068-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 — — US disclosed
WO-2014140510-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 — — 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 (3 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-20160115147-A1 PRO-DRUG COMPOUNDS GJA1, GJB2, AQP3 ABCB1 617/4885ABCC9 342/4885
US-20160016929-A1 PRO-DRUG COMPOUNDS H1-0, ZYX, FURIN ABCB1 42/4885ABCC9 103/4885
US-20140275068-A1 PRO-DRUG COMPOUNDS GJA1, GJB2, AQP3 ABCB1 617/4885ABCC9 342/4885

“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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