SCHEMBL313436

SCHEMBL313436

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP24A1 Q07973 1/20 0.34
ALDH1A1 P00352 5/20 0.33
G6PD P11413 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TBXA2R P21731 1/20 0.32
DHODH Q02127 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL312916 0.89 CA12 (0.35) GAASMN1; SMN2CYP24A1ALDH1A1G6PD
SCHEMBL314517 0.86 C5AR1 (0.37) GAASMN1; SMN2CYP24A1ALDH1A1G6PD
SCHEMBL8622006 0.78 GAA (0.40) GAASMN1; SMN2CYP24A1ALDH1A1CYP3A4
SCHEMBL13290817 0.74 ALDH1A1 (0.43) GAASMN1; SMN2CYP24A1ALDH1A1CYP3A4
SCHEMBL25340644 0.71 MCHR1 (0.39) SMN1; SMN2CYP24A1ALDH1A1G6PDCYP3A4
SCHEMBL25340641 0.71 MCHR1 (0.39) SMN1; SMN2CYP24A1ALDH1A1G6PDCYP3A4
SCHEMBL17927403 0.69 DHODH (0.36) GAAALDH1A1G6PDCYP3A4CYP2C9
SCHEMBL17927405 0.69 DHODH (0.36) GAAALDH1A1G6PDCYP3A4CYP2C9
SCHEMBL31424961 0.68 MCHR1 (0.39) SMN1; SMN2CYP24A1ALDH1A1G6PDCYP3A4
SCHEMBL20161716 0.68 GAA (0.47) GAASMN1; SMN2ALDH1A1CYP3A4CYP2C9

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 10 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
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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 (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 GAA 368/4885SMN1; SMN2 2582/4885CYP24A1 2687/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 GAA 314/4885SMN1; SMN2 2677/4885CYP24A1 2272/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 368/4885SMN1; SMN2 2582/4885CYP24A1 2687/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885SMN1; SMN2 2642/4885CYP24A1 2976/4885

“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.