SCHEMBL3072583

SCHEMBL3072583

[3H]Oc1cc(-c2sc(C)nc2C)nc(-c2nc(C(F)(F)F)cs2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GFER P55789 1/20 0.34
CDK2 P24941 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
NPC1 O15118 3/20 0.34
MAPK1 P28482 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
IDH1 O75874 1/20 0.33
NR2F2 P24468 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
SCHEMBL578009 0.93 OPRM1 (0.40) OPRM1LMNAHTTMEN1KMT2A
SCHEMBL13147682 0.83 LMNA (0.45) OPRM1LMNAHTTMEN1KMT2A
SCHEMBL578105 0.76 LMNA (0.39) OPRM1LMNAHTTMEN1KMT2A
SCHEMBL585248 0.75 IDH1 (0.36) LMNAALDH1A1GFERIDH1
SCHEMBL577846 0.75 KDM4E (0.37) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11905052 0.75 IDH1 (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL578040 0.75 ALDH1A1 (0.38) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL577698 0.73 PDE10A (0.39) LMNAMAPTCDK2IDH1
SCHEMBL578259 0.73 IDH1 (0.35) LMNAGFERIDH1
SCHEMBL577899 0.72 COMT (0.44) OPRM1HTTMEN1KMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
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
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
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 US 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-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 OPRM1 3588/4885LMNA 2038/4885HTT 4028/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 OPRM1 3256/4885LMNA 1797/4885HTT 3958/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 OPRM1 3256/4885LMNA 1797/4885HTT 3958/4885

“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.