SCHEMBL478924

SCHEMBL478924

COC(=O)Nc1ccc(-c2cc(C(Cc3ccccc3)NC(=O)OC(C)(C)C)nn(CC(=O)O)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.43
KLKB1 P03952 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
F9 P00740 1/20 0.42
PTPRB P23467 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL478922 1.00 F11 (0.43) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL938642 0.95 F11 (0.44) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL938641 0.95 F11 (0.44) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478616 0.83 FPR1 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478615 0.83 FPR1 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478811 0.83 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478942 0.82 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478712 0.82 F11 (0.47) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL28794861 0.82 F11 (0.46) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478973 0.82 F11 (0.57) F11KLKB1PRSS1PRSS2PRSS3

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 F11 1/4885KLKB1 17/4885PRSS1 37/4885

“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.