SCHEMBL577215

SCHEMBL577215

O=S(=O)(O)c1ccc2n[c]c(-c3cccs3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 4/20 0.38
SCD O00767 1/20 0.37
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 8/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
HPGD P15428 5/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HSD17B10 Q99714 5/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SRPK1 Q96SB4 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 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
SCHEMBL1232473 0.87 SCD (0.50) RPS6KB2SCDKDM4EALDH1A1MEN1
SCHEMBL577571 0.80 RPS6KB2 (0.46) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577715 0.78 RPS6KB2 (0.55) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577663 0.77 MAPT (0.44) RPS6KB2ALDH1A1MEN1KMT2AMAPT
SCHEMBL578083 0.77 NPC1 (0.49) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577301 0.77 KMT2A (0.45) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577984 0.76 RPS6KB2 (0.40) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577508 0.76 KDM4E (0.49) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577988 0.75 RPS6KB2 (0.42) RPS6KB2KDM4EALDH1A1MEN1KMT2A
SCHEMBL577427 0.74 ALDH1A1 (0.41) RPS6KB2KDM4EALDH1A1MEN1KMT2A

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
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885SCD 424/4885KDM4E 3609/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885SCD 424/4885KDM4E 3609/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RPS6KB2 1615/4885SCD 424/4885KDM4E 3609/4885

“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.