SCHEMBL3863276

SCHEMBL3863276

CCS(=O)(=O)c1ccc(NC(=O)OCCc2ccc(B(O)O)cc2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3865116 0.88 MGLL (0.40) MGLLABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3857554 0.87 SMN1; SMN2 (0.36) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3861433 0.87 SMN1; SMN2 (0.37) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3860624 0.83 HDAC3 (0.40) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL4707402 0.82 DDR1 (0.39) RORCLPLLIPG
SCHEMBL3858613 0.82 CA12 (0.45) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3860405 0.78 EGFR (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3857277 0.77 EGFR (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL3862478 0.76 MGLL (0.52) MGLLLMNAMAPTHTTHSD17B10
SCHEMBL2542795 0.73 ALDH1A1 (0.56) ABCC9ABCC8KCNJ11KCNJ8MAPT

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 3 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

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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 MGLL 1018/4885ABCC9 806/4885ABCC8 1030/4885

“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.