SCHEMBL478772

SCHEMBL478772

COC(=O)Nc1ccc(-c2cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C)C)nnc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
CYP17A1 P05093 1/20 0.35
F11 P03951 4/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC10 Q969S8 2/20 0.35
PTPRB P23467 2/20 0.34
SREBF2 Q12772 1/20 0.34
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL478974 0.80 F11 (0.42) CYP17A1F11F10PLGPLAT
SCHEMBL478771 0.80 F11 (0.41) AAK1CYP17A1F11F10PLG
SCHEMBL479134 0.77 F11 (0.43) CTSSCTSKCYP17A1F11F10
SCHEMBL478721 0.73 F11 (0.45) AAK1CYP17A1F11F10PLG
SCHEMBL478834 0.73 F11 (0.45) CYP17A1F11F10PLGPLAT
SCHEMBL478722 0.73 F11 (0.45) AAK1CYP17A1F11F10PLG
SCHEMBL478832 0.73 F11 (0.45) CYP17A1F11F10PLGPLAT
SCHEMBL478973 0.73 F11 (0.57) F11F10PLGPLAT
SCHEMBL478770 0.71 F11 (0.41) AAK1CYP17A1F11F10PLG
SCHEMBL479040 0.71 AAK1 (0.38) CTSSCTSKAAK1CYP17A1F11

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
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 CTSS 541/4885CTSK 273/4885AAK1 931/4885

“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.