SCHEMBL478978

SCHEMBL478978

CCOP(=O)(O)CC(=O)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ACE P12821 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
PPARA Q07869 1/20 0.39
TACR1 P25103 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RX7 Q99572 2/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL478975 0.88 ALDH1A1 (0.43) SYKACEITGB3ITGA2BMAPT
SCHEMBL478957 0.84 ACE (0.50) SYKACEITGB3ITGA2BMAPT
SCHEMBL1197426 0.81 ACE (0.61) ACECTSLCTSKPPARAHDAC8
SCHEMBL480360 0.81 SYK (0.60) SYKACECTSLCTSKPPARA
SCHEMBL3826670 0.74 HSD17B10 (0.44) HDAC1
SCHEMBL8169761 0.74 ITGB3 (0.50) SYKITGB3ITGA2BMAPTTDP1
SCHEMBL31407652 0.74 KLK5 (0.48) ACEITGB3ITGA2BCTSLCTSK
SCHEMBL6059062 0.73 HDAC1 (0.42) KDM4EPPARAHDAC1POLB
SCHEMBL4518257 0.73 HDAC1 (0.42) MAPTKDM4ETDP1PPARAHDAC1
SCHEMBL12643963 0.73 ATM (0.53) MAPTKDM4ETDP1ALDH1A1CTSL

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 SYK 1300/4885ACE 410/4885ITGB3 1677/4885

“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.