SCHEMBL13619450

SCHEMBL13619450

CCc1cc(Br)ccc1CCCC(=O)Nc1ccc(SC(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
SOS1 Q07889 1/20 0.34
LMNA P02545 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
MCHR1 Q99705 1/20 0.32
GLS O94925 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13631868 0.90 LMNA (0.34) AAK1SOS1LMNAFPR3FPR2
SCHEMBL3859099 0.88 MEN1 (0.35) LMNAMEN1KMT2AALDH1A1SIRT2
SCHEMBL14418537 0.87 LMNA (0.36) AAK1SOS1LMNAFPR3FPR2
SCHEMBL13619449 0.87 AAK1 (0.35) AAK1SOS1LMNAFPR3FPR2
SCHEMBL14418246 0.85 FPR3 (0.35) AAK1SOS1LMNAFPR3FPR2
SCHEMBL13631458 0.85 POLB (0.36) AAK1LMNAFPR3FPR2MEN1
SCHEMBL13619432 0.80 NPC1 (0.38) LMNAFPR3FPR2MEN1KMT2A
SCHEMBL13631368 0.79 NPC1 (0.38) LMNAFPR3FPR2MEN1KMT2A
SCHEMBL3857166 0.77 NPC1 (0.43) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13331075 0.76 NPC1 (0.37) LMNAFPR3FPR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 AAK1 3074/4885SOS1 1849/4885LMNA 217/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 AAK1 3074/4885SOS1 1849/4885LMNA 217/4885

“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.