SCHEMBL6168003

SCHEMBL6168003

N#Cc1ccc(C(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
OPRD1 P41143 1/20 0.46
EEF2K O00418 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43

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
SCHEMBL11219485 0.94 GSK3B (0.47) TSHRL3MBTL1MAPTGSK3BKDM4E
SCHEMBL9641199 0.85 TSHR (0.45) TSHROPRD1EEF2KL3MBTL1TDP1
SCHEMBL20529655 0.85 MEN1 (0.49) TSHROPRD1EEF2KL3MBTL1TDP1
SCHEMBL6164919 0.84 GRM4 (0.48) TSHRLMNAMAPTALDH1A1GSK3B
Diphenylacetic Acid SCHEMBL27543361 0.83 SRC (0.59) L3MBTL1TDP1LMNACYP2D6SRC
SCHEMBL6163842 0.81 KMT2A (0.51) EEF2KL3MBTL1TDP1ALDH1A1PRSS1
Diphenylacetic Acid SCHEMBL27543453 0.81 SRC (0.56) L3MBTL1TDP1LMNACYP2D6SRC
Diphenylacetic Acid SCHEMBL8513250 0.81 SRC (0.62) L3MBTL1TDP1LMNACYP2D6SRC
Diphenylacetic Acid SCHEMBL38022 0.81 SRC (0.62) L3MBTL1TDP1LMNACYP2D6SRC
SCHEMBL30371943 0.80 CYP2C19 (0.46) TSHROPRD1EEF2KL3MBTL1LMNA

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 TSHR 1192/4885OPRD1 2029/4885EEF2K 3615/4885

“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.