SCHEMBL478742

SCHEMBL478742

COP(=O)(CC(=O)[C@H](CC1CCN(C(=O)OCc2ccccc2)C1)NC(=O)OC(C)(C)C)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSL P07711 1/20 0.42
ACE P12821 1/20 0.41
GRIN2B Q13224 2/20 0.41
PDE4B Q07343 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 1/20 0.40
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL478743 1.00 YAP1 (0.45) YAP1ITGB3ITGA2BMAPK1HTT
SCHEMBL478463 0.89 ACKR3 (0.46) YAP1ITGB3ITGA2BCTSLBCHE
SCHEMBL478461 0.89 ACKR3 (0.46) YAP1ITGB3ITGA2BCTSLBCHE
SCHEMBL478951 0.86 KYNU (0.44) YAP1KMT2ACTSLMAPT
SCHEMBL478953 0.86 KYNU (0.44) YAP1KMT2ACTSLMAPT
SCHEMBL478920 0.85 YAP1 (0.51) YAP1MAPK1KMT2AMAPTNTSR1
SCHEMBL478919 0.85 YAP1 (0.51) YAP1MAPK1KMT2AMAPTNTSR1
SCHEMBL29189817 0.82 YAP1 (0.57) YAP1ITGB3ITGA2BMAPK1HTT
SCHEMBL29968272 0.82 YAP1 (0.57) YAP1ITGB3ITGA2BMAPK1HTT
SCHEMBL23850220 0.81 YAP1 (0.55) YAP1ITGB3ITGA2BMAPK1HTT

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 YAP1 4075/4885ITGB3 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.