SCHEMBL312916

SCHEMBL312916

CCC=CCCCC(NC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.33
CYP24A1 Q07973 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FAAH O00519 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
G6PD P11413 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EDNRA P25101 1/20 0.32
CTSK P43235 1/20 0.31
TBXA2R P21731 1/20 0.31
DHODH Q02127 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
SCHEMBL313436 0.89 GAA (0.34) CA12CA2CA9CYP1A2CYP2D6
SCHEMBL314517 0.85 C5AR1 (0.37) CA12CA2CA9CYP1A2CYP2D6
SCHEMBL8622006 0.77 GAA (0.40) CA12CA2CA9ALDH1A1GAA
SCHEMBL25340644 0.75 MCHR1 (0.39) CA12CA2CA9ALDH1A1CYP24A1
SCHEMBL25340641 0.75 MCHR1 (0.39) CA12CA2CA9ALDH1A1CYP24A1
SCHEMBL15237138 0.74 CYP24A1 (0.40) CA12CA9CYP1A2CYP2D6ALDH1A1
SCHEMBL7268342 0.74 CYP24A1 (0.40) CA12CA9CYP1A2CYP2D6ALDH1A1
SCHEMBL23748629 0.73 CYP24A1 (0.39) CA12CA9CYP1A2CYP2D6ALDH1A1
SCHEMBL31424961 0.73 MCHR1 (0.39) CA12CA2CA9ALDH1A1CYP24A1
SCHEMBL13290817 0.73 ALDH1A1 (0.43) CA12CA2CA9ALDH1A1GAA

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
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CA12 3795/4885CA2 4690/4885CA9 3861/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 CA12 3636/4885CA2 4654/4885CA9 3812/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CA12 3795/4885CA2 4690/4885CA9 3861/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CA12 3481/4885CA2 4659/4885CA9 3600/4885

“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.