SCHEMBL2176490

SCHEMBL2176490

CC(C)COc1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.48
PLA2G2A P14555 1/20 0.47
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
GCK P35557 1/20 0.45
PTGER1 P34995 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FABP1 P07148 1/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
XDH P47989 1/20 0.40
KAT6A Q92794 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39

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
SCHEMBL17060023 0.88 NR1H4 (0.54) NR1H4PLA2G2ARARARARBRARG
SCHEMBL4276418 0.88 PLA2G2A (0.54) NR1H4PLA2G2ARARARARBRARG
SCHEMBL2175931 0.84 GPR35 (0.44) NR1H4KMT2AKDM4E
SCHEMBL16952753 0.83 MAPT (0.36) NR1H4RARARARBRARGGCK
SCHEMBL29784186 0.83 PLA2G2A (0.53) NR1H4PLA2G2AKMT2AMEN1RXRA
SCHEMBL2279445 0.83 PLA2G2A (0.53) NR1H4PLA2G2AKMT2AMEN1RXRA
SCHEMBL27584673 0.82 TPMT (0.52) NR1H4PLA2G2ARARARARBRARG
SCHEMBL14812140 0.82 RARA (0.49) NR1H4PLA2G2ARARARARBRARG
SCHEMBL1417152 0.80 MAPT (0.40) KDM4E
SCHEMBL2175928 0.80 CYP2C9 (0.51) NR1H4PLA2G2ARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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 (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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 NR1H4 4525/4885PLA2G2A 4121/4885RARA 3832/4885

“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.