SCHEMBL793338

SCHEMBL793338

CCC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.48
LIPG Q9Y5X9 9/20 0.43
LPL P06858 8/20 0.43
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HIF1A Q16665 2/20 0.38
HSP90AB1 P08238 1/20 0.37
P4HB P07237 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL794033 0.84 ROCK1 (0.48) ROCK1LIPGLPLF11F2
SCHEMBL1130871 0.84 ROCK1 (0.48) ROCK1LIPGLPLF11F2
SCHEMBL16035253 0.82 ROCK1 (0.47) ROCK1LIPGLPLF11F2
SCHEMBL1044923 0.82 ROCK1 (0.47) ROCK1LIPGLPLF11F2
SCHEMBL3845797 0.82 ROCK1 (0.46) ROCK1LIPGLPLHIF1ACA1
SCHEMBL3711933 0.82 ROCK1 (0.46) ROCK1LIPGLPLF11F2
SCHEMBL15594472 0.80 ROCK1 (0.46) ROCK1LIPGLPLF11F2
SCHEMBL21936052 0.80 ROCK1 (0.48) ROCK1LIPGLPLF11F2
SCHEMBL28960278 0.80 ROCK1 (0.46) ROCK1LIPGLPLF11F2
SCHEMBL516413 0.80 ROCK1 (0.46) ROCK1LIPGLPLF11F2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2023-05-11 US disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (2 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-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 ROCK1 1439/4885LIPG 1062/4885LPL 763/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 ROCK1 44/4885LIPG 4175/4885LPL 4337/4885

“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.