SCHEMBL478957

SCHEMBL478957

CCOP(=O)(O)CC(=O)C(Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.50
HDAC8 Q9BY41 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FPR2 P25090 1/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SYK P43405 1/20 0.44
PPARA Q07869 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
CA2 P00918 1/20 0.42

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
SCHEMBL1197426 0.89 ACE (0.61) ACEHDAC8FPR2CTSSCTSK
SCHEMBL478955 0.86 ACE (0.50) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL478978 0.84 SYK (0.43) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL7240844 0.83 ACE (0.61) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL7240841 0.83 ACE (0.61) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL480360 0.83 SYK (0.60) ACECTSSCTSKCTSLCTSB
SCHEMBL3728823 0.80 ACE (0.58) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL2308786 0.80 ACE (0.58) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL2308782 0.80 ACE (0.58) ACEHDAC8KDM4EMAPTTDP1
SCHEMBL6763708 0.79 ITGB3 (0.60) ACEHDAC8KDM4EMAPTTDP1

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 ACE 410/4885HDAC8 3004/4885KDM4E 1441/4885

“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.