SCHEMBL16744644

SCHEMBL16744644

CCCc1cc(NC(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MAPKAPK2 P49137 2/20 0.43
CYP17A1 P05093 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR1I3 Q14994 2/20 0.41
ACSS2 Q9NR19 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL38657707 0.86 CA12 (0.45) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL10819193 0.86 CA12 (0.41) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL10323721 0.84 CA12 (0.43) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL398628 0.81 MAPKAPK2 (0.47) SREBF2CA12CA1CA9MAPKAPK2
SCHEMBL16747601 0.81 MCHR1 (0.41) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL38657922 0.79 CA12 (0.42) CA12CA1CA9MAPKAPK2CYP17A1
SCHEMBL2178849 0.79 ALDH1A1 (0.56) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL12145454 0.79 CA1 (0.48) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL6154459 0.78 TDP1 (0.45) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL395184 0.78 ALDH1A1 (0.50) SREBF2CA12CA1CA9MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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 (1 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 SREBF2 777/4885CA12 3451/4885CA1 4182/4885

“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.