SCHEMBL9975900

SCHEMBL9975900

CCN1CCC(c2cc(-c3ccc(NC(=O)c4nccs4)cc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.34
GRM4 Q14833 5/20 0.33
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
PORCN Q9H237 1/20 0.33
AURKA O14965 2/20 0.32
FLT3 P36888 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
KIT P10721 1/20 0.31
DRD4 P21917 1/20 0.31
PARP1 P09874 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9975809 0.87 MAPT (0.42) MAPTMEN1LMNAMAPK1KMT2A
SCHEMBL9975722 0.86 GAA (0.41) MAPTCYP3A4AURKAFLT3MEN1
SCHEMBL9975652 0.86 KIT (0.37) MAPTKITLMNA
SCHEMBL9975728 0.85 NAMPT (0.37) MAPTAURKAFLT3KITPARP1
SCHEMBL10325287 0.85 NAMPT (0.34) GRM4MAPTAURKAFLT3KIT
SCHEMBL9941773 0.85 MAPK14 (0.38) MAPTAURKAFLT3MEN1LMNA
SCHEMBL9941826 0.85 PRMT5 (0.36) MAPTAURKAFLT3KITKDR
SCHEMBL10325146 0.85 PRMT5 (0.37) MAPTAURKAFLT3KITKDR
SCHEMBL16203336 0.85 MAPT (0.33) MAPTAURKAFLT3KITKDR
SCHEMBL10323907 0.85 KCNH2 (0.36) GRM4MAPTAURKAFLT3KDR

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
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-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

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 CD274 3925/4885GRM4 4609/4885MAPT 3520/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CD274 3925/4885GRM4 4609/4885MAPT 3520/4885

“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.