SCHEMBL7831394

SCHEMBL7831394

C=CCCSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
CTSK P43235 8/20 0.36
CTSS P25774 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
PPARD Q03181 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL27784560 0.92 MEN1 (0.37) SMN1; SMN2MAPTCTSKCTSSCA1
SCHEMBL2241367 0.92 MEN1 (0.37) SMN1; SMN2MAPTCTSKCTSSCA1
SCHEMBL6199170 0.83 CA1 (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL3448906 0.81 CA1 (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL6383767 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MAPTCTSKCA1CA2
SCHEMBL27762752 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MAPTCTSKCA1CA2
SCHEMBL17248090 0.80 CTSK (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL19441645 0.80 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL16252314 0.80 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL8442094 0.80 CTSK (0.37) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 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 (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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC SMN1; SMN2 4096/4885MAPT 4119/4885CTSK 142/4885

“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.