SCHEMBL478976

SCHEMBL478976

COC(=O)Nc1ccc(-c2cc([C@H](Cc3cccc(F)c3)NC(=O)OC(C)(C)C)n[nH]c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.49
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
JAK2 O60674 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
ROCK2 O75116 2/20 0.39
KLKB1 P03952 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 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
SCHEMBL478617 0.91 F11 (0.49) F11CTSSCTSKKLKB1F10
SCHEMBL478811 0.91 F11 (0.58) F11ALDH1A1NPSR1TP53HPGD
SCHEMBL478941 0.86 ALDH1A1 (0.43) F11ALDH1A1NPSR1CTSSCTSK
SCHEMBL478943 0.86 ALDH1A1 (0.43) F11ALDH1A1NPSR1CTSSCTSK
SCHEMBL479133 0.85 F11 (0.60) F11ALDH1A1NPSR1CTSSCTSK
SCHEMBL478977 0.84 ROCK2 (0.41) F11ALDH1A1NPSR1CTSSCTSK
SCHEMBL479154 0.84 F11 (0.51) F11ALDH1A1NPSR1JAK2HPGD
SCHEMBL478745 0.83 F11 (0.46) F11MAPK1LMNAKLKB1F10
SCHEMBL478746 0.83 F11 (0.46) F11MAPK1LMNAKLKB1F10
SCHEMBL479068 0.83 F11 (0.44) F11MAPK1LMNA

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 1/4885ALDH1A1 2830/4885NPSR1 1694/4885

“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.