SCHEMBL6165054

SCHEMBL6165054

N#Cc1cccc(C[C@@H](CO)NC(=O)c2ccc(-c3cc(F)ccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.47
PIN1 Q13526 3/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK1 Q13464 2/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
PRKACA P17612 1/20 0.42
MAPK1 P28482 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
PRKX P51817 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
CTSL P07711 3/20 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
SCHEMBL6165910 0.89 CA2 (0.51) F10PIN1CTSLCTSBCTSS
SCHEMBL6165905 0.89 CA2 (0.51) F10PIN1CTSLCTSBCTSS
Trifluoroacetic Acid SCHEMBL6164650 0.81 F10 (0.59) F10
Trifluoroacetic Acid SCHEMBL7105265 0.80 F10 (0.45) F10PIN1NPC1RAB9AKMT2A
SCHEMBL6163397 0.78 CA2 (0.54) F10PIN1CTSLCTSBCTSS
SCHEMBL6163407 0.78 CA2 (0.54) F10PIN1CTSLCTSBCTSS
SCHEMBL6166070 0.77 NLRP3 (0.46) F10RAB9ACTSLCTSBCTSS
SCHEMBL23279640 0.76 PIN1 (0.62) PIN1ROCK1ROCK2RPS6KA5RPS6KA4
SCHEMBL6164079 0.76 USP30 (0.48) RAB9ACTSLCTSBCTSSCTSK
SCHEMBL6166141 0.75 F10 (0.51) F10RAB9ACTSLCTSBCTSS

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 F10 11/4885PIN1 248/4885NPC1 2488/4885

“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.