SCHEMBL444646

SCHEMBL444646

CCC1(CC(=O)O)N=NN=N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL11530873 0.73 LMNA (0.32) HDAC3HDAC1HDAC2HDAC8
SCHEMBL3959082 0.65 CYP2C19 (0.30)
SCHEMBL11202064 0.65 TSHR (0.32)
SCHEMBL4742254 0.65 GABRA5 (0.34)
Propionic Acid SCHEMBL28214196 0.57 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL19376902 0.57
Propionic Acid SCHEMBL28437839 0.57 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL1462509 0.55 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL290 0.55
Propionic Acid SCHEMBL1331605 0.55

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
EP-1320540-B9 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMA (US) 2012-03-21 EP disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-1878720-B1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMA (US) 2010-10-06 EP disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
EP-1320540-B1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMA (US) 2009-05-13 EP disclosed
EP-1958956-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-08-20 EP disclosed
EP-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP disclosed
US-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED 2005-09-08 US disclosed
EP-1320540-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-06-25 EP disclosed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 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 (5 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-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives CTRC, PEPD, CTSC FFAR3 1826/4885HDAC3 1646/4885HDAC1 1789/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD FFAR3 3672/4885HDAC3 3678/4885HDAC1 3311/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD FFAR3 3672/4885HDAC3 3678/4885HDAC1 3311/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD FFAR3 3672/4885HDAC3 3678/4885HDAC1 3311/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP FFAR3 3406/4885HDAC3 3677/4885HDAC1 3634/4885

“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.