SCHEMBL6166104

SCHEMBL6166104

CCOC(=O)C/C=C/c1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.60
CD274 Q9NZQ7 1/20 0.60
P4HB P07237 14/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FBP1 P09467 1/20 0.46
CYP1A2 P05177 1/20 0.44
GRM5 P41594 1/20 0.44
CNR2 P34972 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL6166108 1.00 PDCD1 (0.60) PDCD1CD274P4HBCYP4F2CYP4A11
SCHEMBL9514413 0.87 PDCD1 (0.57) PDCD1CD274P4HBFBP1CYP1A2
SCHEMBL9514417 0.87 PDCD1 (0.57) PDCD1CD274P4HBFBP1CYP1A2
SCHEMBL5970556 0.84 PDCD1 (0.57) PDCD1CD274P4HBFBP1CYP1A2
SCHEMBL5970550 0.84 PDCD1 (0.57) PDCD1CD274P4HBFBP1CYP1A2
SCHEMBL6163278 0.83 GRIK1 (0.45) PDCD1CD274P4HBCYP4F2CYP4A11
SCHEMBL6163281 0.83 GRIK1 (0.45) PDCD1CD274P4HBCYP4F2CYP4A11
SCHEMBL6163160 0.82 PDCD1 (0.61) PDCD1CD274P4HBMAOAMAOB
SCHEMBL16222087 0.82 PDCD1 (0.61) PDCD1CD274P4HBMAOAMAOB
SCHEMBL11829557 0.82 PDCD1 (0.57) PDCD1CD274P4HBMAOAMAOB

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 PDCD1 1905/4885CD274 3646/4885P4HB 449/4885

“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.