SCHEMBL16307017

SCHEMBL16307017

CCCCOc1ccc(Br)cc1C(C)C(C(=O)OC)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
SMPD1 P17405 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL17705192 0.81 CCR5 (0.53) HTTLMNARAB9ASMPD1ALDH1A1
SCHEMBL16307065 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16306981 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16306931 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16306936 0.78 CYSLTR2 (0.52) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16306953 0.77 CYSLTR2 (0.58) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16307011 0.77 CYSLTR2 (0.58) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL16306952 0.76 SMN1; SMN2 (0.50) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL15462636 0.74 HPGD (0.51) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A
SCHEMBL2772497 0.73 SMN1; SMN2 (0.49) CYSLTR2CYSLTR1NPSR1SMN1; SMN2KMT2A

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
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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 (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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 CYSLTR2 2550/4885CYSLTR1 2893/4885NPSR1 3953/4885

“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.