SCHEMBL17700747

SCHEMBL17700747

CC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
IDH1 O75874 7/20 0.41
IL6ST P40189 1/20 0.40
AGTR2 P50052 1/20 0.39
NAAA Q02083 2/20 0.38
SLC6A9 P48067 2/20 0.37
PPARG P37231 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL16307092 1.00 PPARA (0.46) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL16294896 1.00 PPARA (0.46) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL7406075 0.89 PPARA (0.47) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL2206996 0.89 PPARA (0.47) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL3753534 0.89 IL6ST (0.45) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL3753536 0.89 IL6ST (0.45) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL7808720 0.88 PPARA (0.47) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL21435764 0.88 PPARA (0.44) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL21435819 0.88 PPARA (0.44) PPARALTB4RLTB4R2IDH1IL6ST
SCHEMBL3856583 0.88 PPARA (0.44) PPARALTB4RLTB4R2IDH1IL6ST

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-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

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 PPARA 3379/4885LTB4R 1515/4885LTB4R2 1384/4885

“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.