SCHEMBL12352292

SCHEMBL12352292

C=CCC(NC(=O)OC(C)(C)C)c1cc(-c2ccccc2N)cc(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
AAK1 Q2M2I8 5/20 0.36
IDO1 P14902 1/20 0.34
F11 P03951 2/20 0.34
PTPRC P08575 2/20 0.33
SSTR3 P32745 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL15933275 0.87 F11 (0.40) MAPTAAK1F11
SCHEMBL15915969 0.87 AAK1 (0.35) MAPTAAK1IDO1F11SSTR3
SCHEMBL10257124 0.85 MAPT (0.35) MAPTAAK1IDO1SSTR3NPSR1
SCHEMBL12352296 0.80 MAPT (0.40) MAPTAAK1IDO1F11CCKAR
SCHEMBL16974681 0.78 MAPT (0.37) MAPTAAK1SSTR3MEN1KMT2A
SCHEMBL10257068 0.78 MAPT (0.37) MAPTAAK1SSTR3MEN1KMT2A
SCHEMBL28596508 0.78 MAPT (0.37) MAPTAAK1NPSR1
SCHEMBL21741526 0.78 MAPT (0.38) MAPTAAK1F11MEN1KMT2A
SCHEMBL14692572 0.77 ALDH1A1 (0.33) MAPTAAK1F11MEN1KMT2A
SCHEMBL14692571 0.77 ALDH1A1 (0.33) MAPTAAK1F11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (3 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 MAPT 693/4885AAK1 802/4885IDO1 683/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 693/4885AAK1 802/4885IDO1 683/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885AAK1 896/4885IDO1 2082/4885

“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.