SCHEMBL6163898

SCHEMBL6163898

CS(=O)(=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
USP30 Q70CQ3 1/20 0.47
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
NAMPT P43490 3/20 0.41
KDR P35968 1/20 0.41
F10 P00742 3/20 0.41
PTPN1 P18031 1/20 0.40
CNR1 P21554 1/20 0.40
ADAMTS4 O75173 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MMP13 P45452 1/20 0.40
MME P08473 1/20 0.39
FFAR1 O14842 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB1 P05556 1/20 0.39

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
SCHEMBL6161572 0.88 USP30 (0.45) USP30NAMPTF10CNR1ADAMTS4
SCHEMBL6165870 0.88 F10 (0.54) USP30NAMPTF10
SCHEMBL6163324 0.86 USP30 (0.56) USP30NAMPTF10
SCHEMBL6166259 0.85 PTPN1 (0.47) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL6164417 0.82 PTPN1 (0.59) USP30PSEN1PSEN2APH1BNCSTN
Trifluoroacetic Acid SCHEMBL6167095 0.82 F10 (0.54) F10
SCHEMBL6167385 0.81 PTPN1 (0.47) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL6166654 0.80 USP30 (0.54) USP30
SCHEMBL6171638 0.76 PTPN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6163777 0.75 CNR1 (0.47) USP30CNR1ADAMTS4NLRP3MMP13

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 4394/4885PSEN1 4297/4885PSEN2 4676/4885

“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.