SCHEMBL4832210

SCHEMBL4832210

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2csc(NC(=O)OCc3ccccc3)n2)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
ACKR3 P25106 3/20 0.41
ENPP2 Q13822 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 2/20 0.35
MAPT P10636 1/20 0.35
DDR2 Q16832 1/20 0.35

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
SCHEMBL4837453 0.85 SIGMAR1 (0.42) SIGMAR1ACKR3MAPK1NPSR1GAA
Hydrochloric Acid SCHEMBL4844967 0.79 MAPK1 (0.42) SIGMAR1ACKR3ENPP2MAPK1NPSR1
SCHEMBL4832528 0.77 ACKR3 (0.47) ACKR3MAPK1MAPT
SCHEMBL4832377 0.77 SIGMAR1 (0.43) SIGMAR1ACKR3
SCHEMBL4839963 0.76 TP53 (0.52) SIGMAR1
Hydrochloric Acid SCHEMBL4840458 0.75 MAPK1 (0.47) SIGMAR1ENPP2MAPK1SIRT1SMN1; SMN2
SCHEMBL4836692 0.75 POLB (0.49) SIGMAR1
SCHEMBL4840596 0.75 SIGMAR1 (0.46) SIGMAR1
SCHEMBL4840182 0.75 SIGMAR1 (0.41) SIGMAR1ACKR3GAATSHR
SCHEMBL4836879 0.74 SIGMAR1 (0.41) SIGMAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 SIGMAR1 639/4885ACKR3 1738/4885ENPP2 445/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885ACKR3 3800/4885ENPP2 118/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885ACKR3 3800/4885ENPP2 118/4885

“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.