SCHEMBL478920

SCHEMBL478920

COP(=O)(CC(=O)[C@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1)OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.51
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
P2RX7 Q99572 8/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSK P43235 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL478919 1.00 YAP1 (0.51) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL478951 0.88 KYNU (0.44) YAP1P2RX7MAPTMEN1KMT2A
SCHEMBL478953 0.88 KYNU (0.44) YAP1P2RX7MAPTMEN1KMT2A
SCHEMBL2999882 0.88 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL2999886 0.88 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL8147986 0.88 YAP1 (0.62) YAP1KDM4EPKMP2RX7MAPT
SCHEMBL27998434 0.87 BCHE (0.44) CTSKBCHEACHE
SCHEMBL478461 0.87 ACKR3 (0.46) YAP1P2RX7CTSKBCHE
SCHEMBL478463 0.87 ACKR3 (0.46) YAP1P2RX7CTSKBCHE
SCHEMBL3008280 0.86 YAP1 (0.60) YAP1KDM4EPKMP2RX7MAPT

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 YAP1 4075/4885KDM4E 1441/4885PKM 392/4885

“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.