SCHEMBL478745

SCHEMBL478745

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.46
CYP17A1 P05093 3/20 0.38
PSMB8 P28062 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MAP4K4 O95819 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
PTPRB P23467 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL478746 1.00 F11 (0.46) F11CYP17A1PSMB8BRD4CREBBP
SCHEMBL479068 0.89 F11 (0.44) F11CYP17A1PSMB8BRD4CREBBP
SCHEMBL478811 0.88 F11 (0.58) F11PTPRBLMNAMAPTF10
SCHEMBL479279 0.87 F11 (0.43) F11CYP17A1PSMB8BRD4CREBBP
SCHEMBL478617 0.85 F11 (0.49) F11CYP17A1PTPRBF10PLG
SCHEMBL3434288 0.84 ALDH1A1 (0.42) AAK1GAAMAPT
SCHEMBL478976 0.83 F11 (0.49) F11LMNAMAPK1F10PLG
SCHEMBL478848 0.82 F11 (0.39) F11PSMB8BRD4CREBBPAAK1
SCHEMBL478834 0.82 F11 (0.45) F11CYP17A1PSMB8MAP4K4LMNA
SCHEMBL478832 0.82 F11 (0.45) F11CYP17A1PSMB8MAP4K4LMNA

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 1025/4885PSMB8 3076/4885

“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.