SCHEMBL3868112

SCHEMBL3868112

CC(=O)N(CC(=O)OCc1ccccc1)Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL3857386 0.86 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1ALOX5PTGS1
SCHEMBL3857903 0.84 HDAC3 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL21591622 0.84 PIN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL15173708 0.80 PIN1 (0.54) ALDH1A1SMN1; SMN2MAPK1L3MBTL1ALOX5
SCHEMBL16553793 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28696201 0.78 LMNA (0.53) ALDH1A1MAPK1L3MBTL1LMNATSHR
SCHEMBL28696202 0.78 LMNA (0.53) ALDH1A1MAPK1L3MBTL1LMNATSHR
SCHEMBL21591698 0.78 CCR6 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10399486 0.76 RCE1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2658640 0.75 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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 9 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-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 4184/4885MEN1 970/4885KMT2A 2529/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 ALDH1A1 4184/4885MEN1 970/4885KMT2A 2529/4885

“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.