SCHEMBL6164919

SCHEMBL6164919

N#Cc1cccc(C(C(=O)O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
GSK3B P49841 2/20 0.46
TNF P01375 1/20 0.46
MGLL Q99685 3/20 0.44
GPR139 Q6DWJ6 1/20 0.44
S1PR3 Q99500 1/20 0.44
HPGDS O60760 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
FOLH1 Q04609 1/20 0.43
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6168003 0.84 TSHR (0.48) GSK3BS1PR3TSHRLMNAALDH1A1
SCHEMBL6166510 0.83 KMT2A (0.47) TNFMGLLGPR139S1PR3HPGDS
SCHEMBL28351722 0.82 SRC (0.52) GRM4GSK3BTNFMGLLGPR139
SCHEMBL6490821 0.81 GSK3B (0.56) GRM4GSK3BTNFMGLLGPR139
SCHEMBL1344742 0.79 GRM4 (0.48) GRM4GSK3BTNFMGLLGPR139
SCHEMBL14660851 0.79 GRM4 (0.48) GRM4GSK3BTNFMGLLGPR139
SCHEMBL18116486 0.79 GRM4 (0.54) GRM4GSK3BTNFHPGDSFOLH1
SCHEMBL18920505 0.79 GRM4 (0.54) GRM4GSK3BTNFHPGDSFOLH1
SCHEMBL1990381 0.79 PTGS1 (0.54) GRM4GSK3BGPR139LMNACNR1
SCHEMBL27849068 0.79 GRM4 (0.54) GRM4GSK3BTNFHPGDSFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI GRM4 4645/4885GSK3B 1381/4885TNF 2693/4885

“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.