SCHEMBL6166259

SCHEMBL6166259

COC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
USP30 Q70CQ3 1/20 0.47
NLRP3 Q96P20 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
KDR P35968 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CTSL P07711 1/20 0.41
F10 P00742 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL6164417 0.91 PTPN1 (0.59) PTPN1USP30PSEN1PSEN2APH1B
SCHEMBL6163898 0.85 USP30 (0.47) PTPN1USP30NLRP3PSEN1PSEN2
SCHEMBL6166435 0.85 USP30 (0.59) USP30F10
Trifluoroacetic Acid SCHEMBL6164993 0.83 F10 (0.54) PTPN1F10
SCHEMBL6167385 0.83 PTPN1 (0.47) PTPN1USP30NLRP3PSEN1PSEN2
SCHEMBL6161556 0.80 CTSS (0.53) PTPN1USP30CTSBCTSSCTSK
SCHEMBL6162912 0.79 NLRP3 (0.53) PTPN1NLRP3CTSBCTSSCTSK
SCHEMBL6163926 0.78 USP30 (0.57) PTPN1USP30CTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL7100212 0.78 PTPN1 (0.45) PTPN1CTSBCTSSCTSKCTSL
Trifluoroacetic Acid SCHEMBL6174580 0.76 F10 (0.52) PTPN1F10

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 PTPN1 1142/4885USP30 4394/4885NLRP3 764/4885

“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.