SCHEMBL9941773

SCHEMBL9941773

CCN1CCC(c2cc(-c3ccc(NC(=O)c4ccsc4)cc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
HPGD P15428 1/20 0.34
ACKR3 P25106 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AURKA O14965 1/20 0.33
FLT3 P36888 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL9975722 0.91 GAA (0.41) HPGDAURKAFLT3CHRM1MAPT
SCHEMBL9975652 0.88 KIT (0.37) CHRM5CHRM1MAPTGAALMNA
SCHEMBL9941523 0.87 ROCK2 (0.36) ACKR3AURKAFLT3NAMPTMAPT
SCHEMBL10325287 0.87 NAMPT (0.34) NPC1RAB9AAURKAFLT3NAMPT
SCHEMBL9975809 0.87 MAPT (0.42) MAPK14ACKR3NPC1RAB9AMAPT
SCHEMBL9975900 0.85 CD274 (0.34) AURKAFLT3MAPTLMNAMEN1
SCHEMBL9975695 0.85 CHRM5 (0.35) NPC1RAB9ACHRM5CHRM1MAPT
SCHEMBL10323907 0.85 KCNH2 (0.36) NPC1RAB9AAURKAFLT3MAPT
SCHEMBL9975808 0.84 RAB9A (0.43) NPC1RAB9AMAPTGAATP53
SCHEMBL10325080 0.84 MAPT (0.33) HPGDAURKAFLT3CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
EP-2651906-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE Cocrystal Discovery, Inc. (US) 2013-10-23 EP disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (2 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MAPK14 4423/4885HPGD 2936/4885ACKR3 3023/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MAPK14 4423/4885HPGD 2936/4885ACKR3 3023/4885

“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.