SCHEMBL478951

SCHEMBL478951

COP(=O)(CC(=O)C(CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.44
P2RX7 Q99572 8/20 0.44
YAP1 P46937 2/20 0.43
SYK P43405 1/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 1/20 0.42
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL478953 1.00 KYNU (0.44) KYNUP2RX7YAP1SYKCTSK
SCHEMBL478461 0.92 ACKR3 (0.46) P2RX7YAP1CTSKCTSLCTSS
SCHEMBL478463 0.92 ACKR3 (0.46) P2RX7YAP1CTSKCTSLCTSS
SCHEMBL478919 0.88 YAP1 (0.51) P2RX7YAP1CTSKMEN1MAPT
SCHEMBL478920 0.88 YAP1 (0.51) P2RX7YAP1CTSKMEN1MAPT
SCHEMBL478742 0.86 YAP1 (0.45) YAP1CTSLMAPTKMT2A
SCHEMBL478743 0.86 YAP1 (0.45) YAP1CTSLMAPTKMT2A
SCHEMBL28816481 0.86 KYNU (0.44) KYNUSYKCTSKCTSLCTSS
SCHEMBL27835434 0.86 KYNU (0.44) KYNUSYKCTSKCTSLCTSS
SCHEMBL3410144 0.81 KYNU (0.50) KYNUCTSKCTSLCTSS

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 KYNU 127/4885P2RX7 932/4885YAP1 4075/4885

“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.