SCHEMBL21335587

SCHEMBL21335587

CCO[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
GAA P10253 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.34
CTSK P43235 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM1A O60341 2/20 0.34
SSTR4 P31391 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
SSTR1 P30872 1/20 0.33

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
SCHEMBL30325556 1.00 BTK (0.36) BTKGAAMAOBMAOAEPHX1
SCHEMBL22590347 1.00 BTK (0.36) BTKGAAMAOBMAOAEPHX1
SCHEMBL30325592 1.00 BTK (0.36) BTKGAAMAOBMAOAEPHX1
SCHEMBL18258124 1.00 BTK (0.36) BTKGAAMAOBMAOAEPHX1
SCHEMBL31340838 0.86 BTK (0.34) BTKGAAMAOBMAOAEPHX1
SCHEMBL25145140 0.85 BTK (0.38) BTKGAAMAOBEPHX1EPHX2
SCHEMBL1468743 0.85 BTK (0.38) BTKGAAMAOBEPHX1EPHX2
SCHEMBL1468748 0.85 BTK (0.38) BTKGAAMAOBEPHX1EPHX2
SCHEMBL18940559 0.85 BTK (0.38) BTKGAAMAOBEPHX1EPHX2
SCHEMBL13624954 0.85 BTK (0.38) BTKGAAMAOBEPHX1EPHX2

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-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 BTK 10/4885GAA 1439/4885MAOB 942/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 BTK 10/4885GAA 1439/4885MAOB 942/4885

“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.