SCHEMBL6161572

SCHEMBL6161572

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
F10 P00742 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NAMPT P43490 2/20 0.40
APLNR P35414 3/20 0.39
MAPK8 P45983 1/20 0.39
BRS3 P32247 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
ADRA1D P25100 1/20 0.38
CNR1 P21554 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6163898 0.88 USP30 (0.47) USP30F10NAMPTITGB3ITGAV
SCHEMBL6165870 0.88 F10 (0.54) USP30F10NAMPT
SCHEMBL6163324 0.84 USP30 (0.56) USP30F10NAMPT
SCHEMBL6161556 0.83 CTSS (0.53) USP30F10ITGB3ITGAVITGB1
Trifluoroacetic Acid SCHEMBL6166342 0.80 F10 (0.56) F10
SCHEMBL6166654 0.78 USP30 (0.54) USP30
SCHEMBL6163777 0.78 CNR1 (0.47) USP30MAPK8ITGB3ITGAVITGB1
Trifluoroacetic Acid SCHEMBL6167095 0.75 F10 (0.54) F10
SCHEMBL6166259 0.74 PTPN1 (0.47) USP30F10SMN1; SMN2ITGB1CNR1
SCHEMBL6166435 0.72 USP30 (0.59) USP30F10NAMPT

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 USP30 4394/4885F10 11/4885SMN1; SMN2 3889/4885

“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.