SCHEMBL479282

SCHEMBL479282

COC(=O)Nc1ccc(-c2cc(C[C@H](NC(=O)OC(C)(C)C)S(C)(=O)=O)n[nH]c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.37
CYP17A1 P05093 3/20 0.37
PTPRB P23467 6/20 0.36
PSMB8 P28062 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TNIK Q9UKE5 1/20 0.34
MAP4K4 O95819 1/20 0.34
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
SREBF2 Q12772 1/20 0.33
RORC P51449 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
SCHEMBL479069 0.85 F11 (0.38) F11CYP17A1PTPRBPSMB8HDAC3
SCHEMBL478814 0.83 F11 (0.43) F11CYP17A1PTPRBBRD4CREBBP
SCHEMBL478620 0.82 F11 (0.37) F11CYP17A1PTPRBPSMB8RORC
SCHEMBL479279 0.80 F11 (0.43) F11CYP17A1PTPRBPSMB8BRD4
SCHEMBL478977 0.80 ROCK2 (0.41) F11HDAC1BRD4CREBBPEGFR
SCHEMBL478803 0.79 F11 (0.41) F11CYP17A1PTPRBPSMB8EGFR
SCHEMBL478745 0.76 F11 (0.46) F11CYP17A1PTPRBPSMB8HDAC3
SCHEMBL478746 0.76 F11 (0.46) F11CYP17A1PTPRBPSMB8HDAC3
SCHEMBL479068 0.76 F11 (0.44) F11CYP17A1PTPRBPSMB8HDAC3
SCHEMBL478870 0.76 F11 (0.38) F11CYP17A1PTPRBPSMB8HDAC3

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 F11 1/4885CYP17A1 1025/4885PTPRB 2306/4885

“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.