SCHEMBL5970511

SCHEMBL5970511

CC(=Cc1cccc(C#N)c1)CCCOC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.53
▸ CD274 Q9NZQ7 1/20 0.53
▸ FBP1 P09467 3/20 0.43
▸ P4HB P07237 8/20 0.41
▸ GSK3B P49841 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5970509 0.91 PDCD1 (0.54) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL6795707 0.77 PDCD1 (0.49) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL8153247 0.77 PDCD1 (0.50) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL5970508 0.77 PDCD1 (0.49) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL5970912 0.75 PDCD1 (0.51) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL6981746 0.75 AKR1C3 (0.59) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL3115027 0.75 AKR1C3 (0.59) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL28372992 0.75 AKR1C3 (0.59) PDCD1CD274FBP1P4HBGSK3B
SCHEMBL5971061 0.75 PDCD1 (0.62) PDCD1CD274FBP1P4HBKDM4E
SCHEMBL5971058 0.75 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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