SCHEMBL329035

SCHEMBL329035

CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.74
CTSB P07858 13/20 0.72
CTSL P07711 8/20 0.72
CTSK P43235 6/20 0.72
CTSS P25774 3/20 0.72
ELANE P08246 2/20 0.72
CTSV O60911 1/20 0.72
PLG P00747 1/20 0.72
CMA1 P23946 1/20 0.72
CELA1 Q9UNI1 1/20 0.72

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
SCHEMBL13644589 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL2332814 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL8244108 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL13412734 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL3822829 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL15450961 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL4259298 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL4259300 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL2332809 1.00 ABCG2 (0.74) ABCG2CTSBCTSLCTSKCTSS
SCHEMBL16143270 1.00 ABCG2 (0.74) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038677-A1 PROCESS FOR THE SYNTHESIS OF TELAPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF SANDOZ AG (CH) 2015-02-05 US disclosed
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-8383858-B2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
US-8247532-B2 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
EP-2407448-A2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-18 EP disclosed
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
EP-2295401-A2 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-20100298568-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 US disclosed
EP-2194039-A1 Process for preparing optically enriched compounds Vertex Pharmceuticals Incorporated (US) 2010-06-09 EP disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070225297-A1 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-27 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 (6 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-20100298568-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 ABCG2 2758/4885CTSB 1530/4885CTSL 2031/4885
US-20070225297-A1 Deuterated hepatitis C protease inhibitors PEPD, CTRL, CTSC ABCG2 1919/4885CTSB 63/4885CTSL 24/4885
US-20070244334-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 ABCG2 2758/4885CTSB 1530/4885CTSL 2031/4885
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS PEPD, CTRL, CTSC ABCG2 1919/4885CTSB 63/4885CTSL 24/4885
US-20150038677-A1 PROCESS FOR THE SYNTHESIS OF TELAPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF ACE, REN, AGT ABCG2 1894/4885CTSB 1734/4885CTSL 416/4885
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS REV1, HSD11B1, CYP11B1 ABCG2 2758/4885CTSB 1530/4885CTSL 2031/4885

“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.