SCHEMBL13619449

SCHEMBL13619449

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
SOS1 Q07889 1/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
GRK2 P25098 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13631458 0.90 POLB (0.36) AAK1POLBMEN1KMT2ACA1
SCHEMBL13331075 0.90 NPC1 (0.37) POLBMEN1KMT2ACA1CA2
SCHEMBL3861255 0.89 CA1 (0.35) CA1CA2LMNAALDH1A1MCHR1
SCHEMBL3860497 0.89 MEN1 (0.37) POLBMEN1KMT2AGRK2CTDSP1
SCHEMBL3868115 0.88 ALDH1A1 (0.35) AAK1SOS1MEN1KMT2AFPR3
SCHEMBL14418537 0.87 LMNA (0.36) AAK1SOS1MEN1KMT2ALMNA
SCHEMBL13619450 0.87 AAK1 (0.35) AAK1SOS1MEN1KMT2ALMNA
SCHEMBL14418246 0.85 FPR3 (0.35) AAK1SOS1MEN1KMT2ALMNA
SCHEMBL13631868 0.85 LMNA (0.34) AAK1SOS1MEN1KMT2ALMNA
SCHEMBL3859072 0.82 NPC1 (0.37) POLBCA1CA2LMNAALDH1A1

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 1849/4885POLB 2923/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 AAK1 3074/4885SOS1 1849/4885POLB 2923/4885

“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.