SCHEMBL9975820

SCHEMBL9975820

CCN1CCC(c2cc(-c3cccc(NC(=O)c4cccs4)c3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.40
MAPT P10636 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CLK1 P49759 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL10324472 1.00 ACKR3 (0.40) ACKR3MAPTL3MBTL1MEN1KMT2A
SCHEMBL9975809 0.94 MAPT (0.42) ACKR3MAPTL3MBTL1MEN1KMT2A
SCHEMBL10324379 0.89 NQO2 (0.41) MAPTLMNAKDM4E
SCHEMBL9975734 0.89 NQO2 (0.41) MAPTLMNAKDM4E
SCHEMBL9975823 0.85 CHRM5 (0.42)
SCHEMBL10325346 0.85 ABL1 (0.35) NPC1RAB9A
SCHEMBL9975761 0.85 ABL1 (0.35) NPC1RAB9A
SCHEMBL9975722 0.83 GAA (0.41) MAPTMEN1KMT2AHTTGAA
SCHEMBL9975728 0.83 NAMPT (0.37) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10324357 0.82 PTPN1 (0.39) MAPT

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 7 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-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
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 ACKR3 3023/4885MAPT 3520/4885L3MBTL1 2919/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E ACKR3 3023/4885MAPT 3520/4885L3MBTL1 2919/4885

“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.