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SCHEMBL12401152

SCHEMBL12401152

CC(C)C(NC(=O)C1CCC(=O)N1)C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ HDAC3 O15379 6/20 0.35
▸ HDAC11 Q96DB2 6/20 0.35
▸ HDAC6 Q9UBN7 6/20 0.35
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC2 Q92769 5/20 0.35
▸ HDAC10 Q969S8 5/20 0.35
▸ HDAC8 Q9BY41 5/20 0.35
▸ ACACB O00763 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL14943195 0.85 POLB (0.42) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL25834354 0.85 POLB (0.42) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL2597779 0.84 SMN1; SMN2 (0.42) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL20560032 0.84 SMN1; SMN2 (0.42) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL2597780 0.84 SMN1; SMN2 (0.42) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL23513480 0.83 DDOST (0.43) POLBSMN1; SMN2MEN1KMT2AACACB
SCHEMBL11735638 0.83 DDOST (0.43) POLBSMN1; SMN2MEN1KMT2AACACB
SCHEMBL19359293 0.83 DDOST (0.43) POLBSMN1; SMN2MEN1KMT2AACACB
SCHEMBL12483694 0.81 POLB (0.39) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL31199170 0.80 DDOST (0.39) POLBSMN1; SMN2MEN1KMT2AHDAC3

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 9 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-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (4 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 POLB 3945/4885SMN1; SMN2 2265/4885MEN1 2930/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 POLB 3945/4885SMN1; SMN2 2265/4885MEN1 2930/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 POLB 2644/4885SMN1; SMN2 2646/4885MEN1 4026/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 POLB 4161/4885SMN1; SMN2 2156/4885MEN1 3395/4885

“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.