SCHEMBL478912

SCHEMBL478912

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.44
ROCK2 O75116 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
POLB P06746 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
PPARG P37231 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL478462 0.88 F11 (0.42) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL478910 0.82 F11 (0.48) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL478958 0.81 F11 (0.42) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL479189 0.78 F11 (0.51) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL479155 0.76 PDE3B (0.43) F11ROCK2PDE3BPDE3AFLT1
SCHEMBL479190 0.76 ROCK2 (0.41) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL479089 0.75 F11 (0.50) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL479090 0.75 FLT1 (0.43) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL478460 0.74 F11 (0.47) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL478793 0.74 SYK (0.48) F11ROCK2PDE3BPDE3ASMN1; SMN2

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-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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (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.