SCHEMBL478684

SCHEMBL478684

CCOP(=O)(CC(=O)C(Cc1cccc(F)c1)NC(=O)O)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
FPR2 P25090 2/20 0.42
PIN1 Q13526 2/20 0.41
SLC1A1 P43005 2/20 0.40
CTSB P07858 2/20 0.40
GPR34 Q9UPC5 2/20 0.39
CTSL P07711 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ROCK1 Q13464 1/20 0.38
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL12909986 0.86 CTSS (0.59) CTSSCTSKCTSBCTSLPPARG
SCHEMBL478788 0.86 EPHX2 (0.41) CTSSCTSKFPR2GPR34PPARG
SCHEMBL20608683 0.76 SIRT2 (0.39) CTSSCTSKFPR2PIN1
SCHEMBL20608682 0.76 SIRT2 (0.39) CTSSCTSKFPR2PIN1
SCHEMBL3416318 0.74 L3MBTL1 (0.47) FPR2ALDH1A1LMNA
SCHEMBL23356941 0.74 SLC1A1 (0.54) CTSSCTSKSLC1A1ROCK1
SCHEMBL23356943 0.74 SLC1A1 (0.54) CTSSCTSKSLC1A1ROCK1
SCHEMBL7362177 0.72 L3MBTL1 (0.51) FPR2GPR34
SCHEMBL6372232 0.72 TACR1 (0.55) CTSSCTSKSLC1A1ALDH1A1LMNA
SCHEMBL27552216 0.72 TACR1 (0.55) CTSSCTSKSLC1A1ALDH1A1LMNA

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 CTSS 541/4885CTSK 273/4885FPR2 397/4885

“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.