SCHEMBL3859082

SCHEMBL3859082

CCCS(=O)(=O)c1ccc(NC(=O)OCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
MGLL Q99685 1/20 0.34
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MCL1 Q07820 1/20 0.33
MCHR1 Q99705 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3868119 0.90 HPGD (0.32) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL8239362 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL13361307 0.89 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL3859077 0.87 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL13331377 0.86 FPR3 (0.37) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL13683207 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL13361408 0.79 MGLL (0.35) ALDH1A1MAPTMGLLHPGDNPC1
SCHEMBL3866107 0.79 RAD51 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3868115 0.78 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTFPR3
SCHEMBL3866342 0.78 MGLL (0.34) ALDH1A1MGLLHPGDMCHR1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP 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-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 MEN1 970/4885KMT2A 2529/4885ALDH1A1 4184/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 MEN1 970/4885KMT2A 2529/4885ALDH1A1 4184/4885

“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.