SCHEMBL3157463

SCHEMBL3157463

CS(=O)(=O)c1ccc(C(=O)Nc2cc(I)ccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.48
IRAK4 Q9NWZ3 2/20 0.43
IRAK1 P51617 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ATR Q13535 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TOP2A P11388 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
SCHEMBL13403884 0.95 F10 (0.52) F10IRAK4IRAK1
SCHEMBL3156066 0.91 F10 (0.58) F10
SCHEMBL3156235 0.91 F10 (0.50) F10IRAK4IRAK1HSP90AB1TOP2A
SCHEMBL3156673 0.90 F10 (0.46) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL4269020 0.89 IRAK4 (0.49) F10IRAK4IRAK1KDM4ENPC1
Hydrochloric Acid SCHEMBL4269636 0.88 IRAK4 (0.49) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL3156311 0.88 F10 (0.51) F10IRAK4
SCHEMBL4269964 0.88 F10 (0.47) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL13403885 0.87 F10 (0.51) F10IRAK4
SCHEMBL3160056 0.86 GPR119 (0.48) F10TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 F10 15/4885IRAK4 2856/4885IRAK1 1124/4885

“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.