SCHEMBL6164911

SCHEMBL6164911

N#Cc1cccc(-c2ccccc2CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
PTGDR2 Q9Y5Y4 4/20 0.56
PTGER1 P34995 3/20 0.53
PTGER4 P35408 3/20 0.53
PTGER3 P43115 3/20 0.53
PTGER2 P43116 3/20 0.53
ENPP2 Q13822 1/20 0.49
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
PTGS2 P35354 1/20 0.47
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
LMNA P02545 1/20 0.45
GRK6 P43250 1/20 0.43
MAOB P27338 1/20 0.43
KAT6A Q92794 1/20 0.42
PTGS1 P23219 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL6166508 0.83 ADRA2C (0.56) ADRA2CPTGDR2PTGER1PTGER4PTGER3
SCHEMBL6167998 0.83 PTGDR2 (0.55) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL10980808 0.81 ADRA2C (0.68) ADRA2CPTGDR2MAOB
SCHEMBL6166155 0.81 ADRA2C (0.68) ADRA2CPTGDR2XDHSLC22A12MAOB
SCHEMBL6165957 0.81 LMNA (0.64) ADRA2CLMNA
SCHEMBL7108448 0.80 LMNA (0.53) ADRA2CPTGDR2LMNA
SCHEMBL538512 0.79 KMT2A (0.60) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL6167622 0.78 ADRA2C (0.77) ADRA2CPTGDR2MAOB
SCHEMBL6165241 0.78 ADRA2C (0.68) ADRA2CPTGDR2MAOB
SCHEMBL28725605 0.78 ADRA2C (0.68) ADRA2CPTGDR2MAOB

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 ADRA2C 1810/4885PTGDR2 2161/4885PTGER1 1116/4885

“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.