SCHEMBL10258198

SCHEMBL10258198

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCC1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.51
CTSB P07858 5/20 0.50
ELANE P08246 2/20 0.50
CTSL P07711 2/20 0.50
CTSV O60911 1/20 0.50
PLG P00747 1/20 0.50
CMA1 P23946 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CELA1 Q9UNI1 1/20 0.50
LONP1 P36776 3/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41

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
SCHEMBL12296170 1.00 ABCG2 (0.51) ABCG2CTSBELANECTSLCTSV
SCHEMBL2409932 0.99 ABCG2 (0.52) ABCG2CTSBELANECTSLCTSV
SCHEMBL15247708 0.99 ABCG2 (0.52) ABCG2CTSBELANECTSLCTSV
SCHEMBL2409946 0.99 ABCG2 (0.52) ABCG2CTSBELANECTSLCTSV
SCHEMBL3198890 0.99 ABCG2 (0.52) ABCG2CTSBELANECTSLCTSV
SCHEMBL2409941 0.99 ABCG2 (0.52) ABCG2CTSBELANECTSLCTSV
SCHEMBL3223467 0.91 ABCG2 (0.51) ABCG2CTSBELANECTSLCTSV
SCHEMBL464151 0.89 ABCG2 (0.53) ABCG2CTSBELANECTSLCTSV
SCHEMBL1013602 0.88 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL12011280 0.88 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368877-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ABCG2 2283/4885CTSB 39/4885ELANE 600/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ABCG2 2283/4885CTSB 39/4885ELANE 600/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ABCG2 2283/4885CTSB 39/4885ELANE 600/4885

“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.