SCHEMBL478462

SCHEMBL478462

COC(=O)Nc1ccc(-c2cc(C[C@H](NC(=O)OCc3ccccc3)NC(=O)C(C)(C)C)n[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.42
ROCK2 O75116 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
POLB P06746 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL478912 0.88 F11 (0.44) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478460 0.82 F11 (0.47) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL479155 0.79 PDE3B (0.43) F11ROCK2PDE3BPDE3AJAK2
SCHEMBL478958 0.79 F11 (0.42) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL479189 0.77 F11 (0.51) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478910 0.76 F11 (0.48) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478793 0.76 SYK (0.48) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478814 0.76 F11 (0.43) F11ROCK2
SCHEMBL479190 0.75 ROCK2 (0.41) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL479089 0.75 F11 (0.50) F11ROCK2PDE3BPDE3ANPC1

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 1/4885ROCK2 596/4885PDE3B 2861/4885

“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.