SCHEMBL22355259

SCHEMBL22355259

CC(C)(C)OC(=O)NCCCC[C@@H](NCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
FOLH1 Q04609 2/20 0.53
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
ABCB1 P08183 1/20 0.50
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SYK P43405 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
ITGB3 P05106 1/20 0.47

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
SCHEMBL22355258 0.93 MAPT (0.54) MAPTFOLH1KLK7KLK5ABCB1
SCHEMBL17786870 0.93 SYK (0.51) MAPTFOLH1KLK7KLK5MEN1
SCHEMBL17786872 0.93 SYK (0.51) MAPTFOLH1KLK7KLK5MEN1
SCHEMBL14719942 0.92 FOLH1 (0.59) MAPTFOLH1KLK7KLK5MMP2
SCHEMBL17287194 0.87 MAPT (0.59) MAPTKLK7KLK5MEN1KMT2A
SCHEMBL18791213 0.87 MAPT (0.59) MAPTKLK7KLK5MEN1KMT2A
SCHEMBL1491720 0.86 FOLH1 (0.65) MAPTFOLH1KLK7KLK5MMP2
SCHEMBL2467817 0.86 FOLH1 (0.65) MAPTFOLH1KLK7KLK5MMP2
SCHEMBL699636 0.86 FOLH1 (0.65) MAPTFOLH1KLK7KLK5MMP2
SCHEMBL23011537 0.86 SYK (0.58) MAPTKLK7KLK5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014920-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-25 US disclosed
US-20200262831-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2020-08-20 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 (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-11014920-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 MAPT 4426/4885FOLH1 1219/4885KLK7 154/4885
US-20200262831-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 MAPT 4426/4885FOLH1 1219/4885KLK7 154/4885

“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.