SCHEMBL5970508

SCHEMBL5970508

C/C(=C\c1cccc(C#N)c1)CC(C)OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.49
▸ CD274 Q9NZQ7 1/20 0.49
▸ FBP1 P09467 3/20 0.42
▸ P4HB P07237 9/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35

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
SCHEMBL6795700 0.79 P4HB (0.46) PDCD1CD274FBP1P4HBGRIK1
SCHEMBL5970511 0.77 PDCD1 (0.53) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL6981746 0.74 AKR1C3 (0.59) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL28372992 0.74 AKR1C3 (0.59) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL5970912 0.74 PDCD1 (0.51) PDCD1CD274FBP1P4HBGRIN2D
SCHEMBL3115027 0.74 AKR1C3 (0.59) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL5970509 0.72 PDCD1 (0.54) PDCD1CD274FBP1P4HB
SCHEMBL31546284 0.72 FBP1 (0.54) PDCD1CD274FBP1P4HBGRIN2D
SCHEMBL5971058 0.72 PDCD1 (0.62) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL5971061 0.72 PDCD1 (0.62) PDCD1CD274FBP1P4HBKDM4E

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-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 — — EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 — — US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 — — US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 — — US 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 (2 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 PDCD1 3406/4885CD274 4342/4885FBP1 594/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 PDCD1 3414/4885CD274 4296/4885FBP1 601/4885

“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.

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