SCHEMBL478788

SCHEMBL478788

CCOP(=O)(CC(=O)C(Cc1ccc(F)cc1)NC(=O)O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
ACE P12821 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GPR34 Q9UPC5 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FPR2 P25090 1/20 0.40
MME P08473 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 2/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL478684 0.86 CTSS (0.44) PPARGALDH1A1GPR34CTSSCTSK
SCHEMBL12909984 0.85 CTSS (0.56) ACECTSSCTSKCA2
SCHEMBL3416318 0.76 L3MBTL1 (0.47) ACEALDH1A1FPR2
SCHEMBL12909986 0.73 CTSS (0.59) PPARGACEALDH1A1CTSSCTSK
SCHEMBL18765748 0.71 ALDH1A1 (0.54) EPHX2PPARGACENOS3NOS1
SCHEMBL4850176 0.71 ALDH1A1 (0.54) EPHX2PPARGACENOS3NOS1
SCHEMBL7362177 0.71 L3MBTL1 (0.51) ACEGPR34FPR2MMECPA1
Hydrochloric Acid SCHEMBL27637902 0.70 ALDH1A1 (0.53) EPHX2PPARGACENOS3NOS1
SCHEMBL8838747 0.70 HPGD (0.42) EPHX2ALDH1A1KDM4ETDP1
SCHEMBL6371364 0.70 TACR1 (0.53) EPHX2PPARGNOS3NOS1NOS2

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 EPHX2 785/4885PPARG 4774/4885ACE 410/4885

“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.