SCHEMBL478461

SCHEMBL478461

COP(=O)(CC(=O)[C@H](CC1CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
YAP1 P46937 1/20 0.43
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
P2RX7 Q99572 7/20 0.43
CTSB P07858 1/20 0.42
USP30 Q70CQ3 1/20 0.42
BCHE P06276 1/20 0.42
HTR6 P50406 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
SCHEMBL478463 1.00 ACKR3 (0.46) ACKR3ITGB3ITGA2BYAP1KAT7
SCHEMBL478953 0.92 KYNU (0.44) YAP1CTSKCTSLCTSSP2RX7
SCHEMBL478951 0.92 KYNU (0.44) YAP1CTSKCTSLCTSSP2RX7
SCHEMBL478742 0.89 YAP1 (0.45) ITGB3ITGA2BYAP1CTSLBCHE
SCHEMBL478743 0.89 YAP1 (0.45) ITGB3ITGA2BYAP1CTSLBCHE
SCHEMBL25889247 0.88 YAP1 (0.52) ACKR3ITGB3ITGA2BYAP1KAT7
SCHEMBL478919 0.87 YAP1 (0.51) YAP1CTSKP2RX7BCHE
SCHEMBL478920 0.87 YAP1 (0.51) YAP1CTSKP2RX7BCHE
SCHEMBL28816503 0.86 CTSK (0.42) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL3004552 0.80 ITGB3 (0.53) ITGB3ITGA2BCTSKCTSLCTSS

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 ACKR3 1489/4885ITGB3 1677/4885ITGA2B 679/4885

“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.