SCHEMBL12566232

SCHEMBL12566232

Cc1cc2c(-c3ccc(C(=O)O)cc3)ccc(C(=O)O)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
CYP2C8 P10632 2/20 0.44
FOLH1 Q04609 1/20 0.43
RARA P10276 6/20 0.42
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
MYC P01106 1/20 0.42
XDH P47989 2/20 0.42
SLC22A12 Q96S37 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL12566228 0.82 XDH (0.34) GSK3BCYP2C8RARARARBRARG
SCHEMBL12566230 0.79 GSK3B (0.43) GSK3BXDHSLC22A12PTPN1
SCHEMBL25105057 0.74 ALDH1A1 (0.41) RARARARBRARGMYCXDH
SCHEMBL24947160 0.74 RARA (0.46) RARARARBRARGMYCXDH
SCHEMBL30158431 0.74 ALDH1A1 (0.41) RARARARBRARGMYCXDH
SCHEMBL13990450 0.72 MCL1 (0.45) CYP2C8RARARARBRARGMYC
SCHEMBL842987 0.72 FOLH1 (0.49) CYP2C8FOLH1MYCRXRARXRB
SCHEMBL11154359 0.70 ALDH1A1 (0.55) CYP2C8FOLH1MYCRXRARXRB
SCHEMBL7633480 0.69 FOLH1 (0.67) CYP2C8FOLH1RXRARXRBKDM4E
SCHEMBL29368512 0.69 FOLH1 (0.67) CYP2C8FOLH1RXRARXRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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 (1 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 GSK3B 590/4885CYP2C8 1161/4885FOLH1 4077/4885

“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.