SCHEMBL479154

SCHEMBL479154

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(=O)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.51
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ROCK2 O75116 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
JAK2 O60674 1/20 0.42
PTPRB P23467 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL478811 0.92 F11 (0.58) F11MAPTALDH1A1PTPRBLMNA
SCHEMBL478394 0.89 F11 (0.48) F11MAPTALDH1A1JAK2PTPRB
SCHEMBL478391 0.89 F11 (0.48) F11MAPTALDH1A1JAK2PTPRB
SCHEMBL478793 0.87 SYK (0.48) F11PDE3BPDE3AROCK2MAPT
SCHEMBL479155 0.87 PDE3B (0.43) F11PDE3BPDE3AROCK2MAPT
SCHEMBL478716 0.86 ALDH1A1 (0.46) F11MAPTALDH1A1JAK2PTPRB
SCHEMBL478714 0.86 ALDH1A1 (0.46) F11MAPTALDH1A1JAK2PTPRB
SCHEMBL478617 0.84 F11 (0.49) F11PTPRB
SCHEMBL478976 0.84 F11 (0.49) F11ROCK2ALDH1A1JAK2POLB
SCHEMBL479149 0.83 F11 (0.44) F11MAPTALDH1A1JAK2PTPRB

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 1/4885PDE3B 2861/4885PDE3A 2141/4885

“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.