SCHEMBL3868115

SCHEMBL3868115

CCc1cc(Br)ccc1CCOC(=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
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
AAK1 Q2M2I8 2/20 0.35
SOS1 Q07889 1/20 0.34
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
MCHR1 Q99705 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
EGFR P00533 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 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
SCHEMBL3861686 0.89 HPGD (0.34) ALDH1A1HPGDMCHR1SMN1; SMN2NPC1
SCHEMBL3859077 0.89 MEN1 (0.35) ALDH1A1HPGDAAK1SOS1FPR3
SCHEMBL3868119 0.89 HPGD (0.32) ALDH1A1HPGDAAK1SOS1FPR3
SCHEMBL13619449 0.88 AAK1 (0.35) ALDH1A1AAK1SOS1FPR3FPR2
SCHEMBL13331655 0.86 HPGD (0.35) ALDH1A1HPGDAAK1SOS1FPR3
SCHEMBL3868116 0.85 AAK1 (0.32) ALDH1A1HPGDAAK1RORCMEN1
SCHEMBL3866342 0.82 MGLL (0.34) ALDH1A1HPGDMCHR1MMP13
SCHEMBL8242485 0.80 CYP1A2 (0.36) ALDH1A1HPGDMCHR1RORCMEN1
SCHEMBL13331661 0.80 HPGD (0.34) ALDH1A1HPGDMCHR1SMN1; SMN2NPC1
SCHEMBL8239362 0.79 MEN1 (0.38) ALDH1A1FPR3FPR2MCHR1MMP13

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 8 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-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-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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 (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 ALDH1A1 4184/4885HPGD 3525/4885AAK1 3074/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 ALDH1A1 4184/4885HPGD 3525/4885AAK1 3074/4885

“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.