SCHEMBL9975809

SCHEMBL9975809

CCN1CCC(c2cc(-c3ccc(NC(=O)c4cccs4)cc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PTPN1 P18031 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9975820 0.94 ACKR3 (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10324472 0.94 ACKR3 (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9975722 0.89 GAA (0.41) MAPTMEN1KMT2AHTTHRH3
SCHEMBL9975728 0.88 NAMPT (0.37) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9975652 0.88 KIT (0.37) MAPTLMNAALDH1A1PTPN1
SCHEMBL9975900 0.87 CD274 (0.34) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9941773 0.87 MAPK14 (0.38) MAPTMEN1KMT2ALMNAHTT
SCHEMBL9975808 0.86 RAB9A (0.43) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL9975823 0.85 CHRM5 (0.42)
SCHEMBL10323907 0.85 KCNH2 (0.36) MAPTSMN1; SMN2NPC1RAB9ATP53

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-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
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 MAPT 3520/4885MEN1 4122/4885KMT2A 2421/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MAPT 3520/4885MEN1 4122/4885KMT2A 2421/4885

“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.