SCHEMBL12412301

SCHEMBL12412301

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL14943542 0.82 TSHR (0.39) HTTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL7441185 0.82 HTT (0.42) HTTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL4741694 0.82 CA1 (0.32) CA1CA2CA7
SCHEMBL19318531 0.82 CA1 (0.32) CA1CA2CA7
SCHEMBL12406925 0.81 HTT (0.36) HTTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL12330212 0.81 HTT (0.38) HTTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL12404647 0.78 CA1 (0.49) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12401409 0.78 CA1 (0.49) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12503784 0.78 ALOX15 (0.37) HTTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL12401096 0.76 HTT (0.46) HTTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 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 (2 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HTT 3023/4885HPGD 1806/4885SMN1; SMN2 2265/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HTT 2958/4885HPGD 1247/4885SMN1; SMN2 2646/4885

“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.