SCHEMBL16474287

SCHEMBL16474287

CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.70
CTSB P07858 13/20 0.69
CTSL P07711 8/20 0.69
CTSK P43235 6/20 0.69
CTSS P25774 3/20 0.69
ELANE P08246 2/20 0.69
CTSV O60911 1/20 0.69
PLG P00747 1/20 0.69
CMA1 P23946 1/20 0.69
CELA1 Q9UNI1 1/20 0.69

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
SCHEMBL2324921 1.00 ABCG2 (0.70) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL13058622 1.00 ABCG2 (0.70) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL2324915 1.00 ABCG2 (0.70) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL2324929 1.00 ABCG2 (0.70) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL16474284 1.00 ABCG2 (0.70) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL15086011 0.92 CTSB (0.61) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL13644672 0.91 ABCG2 (0.73) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL15757106 0.91 ABCG2 (0.73) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL13092010 0.91 ABCG2 (0.73) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL15764305 0.91 ABCG2 (0.73) ABCG2CTSBCTSLCTSKCTSS

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-20140107318-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-17 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-20140107318-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 ABCG2 2390/4885CTSB 49/4885CTSL 17/4885

“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.