SCHEMBL3012834

SCHEMBL3012834

CC(C)CC(CO)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
AAK1 Q2M2I8 11/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8981149 0.92 CTSK (0.43) CTSSCTSKCTSLCTSBAAK1
SCHEMBL8836642 0.86 TDP1 (0.42) CTSSCTSKCTSLCTSBCA1
SCHEMBL20468220 0.86 AAK1 (0.41) CTSSCTSKCTSLCTSBAAK1
SCHEMBL10668675 0.82 CTSK (0.39) CTSSCTSKCTSLCTSBAAK1
SCHEMBL6062712 0.82 MAPT (0.39) CTSSCTSKCTSLCTSBAAK1
SCHEMBL1729943 0.82 MAPT (0.39) CTSSCTSKCTSLCTSBAAK1
SCHEMBL5147739 0.81 CTSK (0.39) CTSSCTSKCTSLCTSBCA1
SCHEMBL2870578 0.81 CTSS (0.36) CTSSCTSKCTSLCTSBAAK1
SCHEMBL3823963 0.78 FPR2 (0.46) CTSSCTSKCTSLCTSBAAK1
SCHEMBL56735 0.78 FPR2 (0.46) CTSSCTSKCTSLCTSBAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
WO-2017023631-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 CTSS 1740/4885CTSK 1909/4885CTSL 1412/4885
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 CTSS 1057/4885CTSK 1800/4885CTSL 2248/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 CTSS 1740/4885CTSK 1909/4885CTSL 1412/4885

“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.