SCHEMBL22989301

SCHEMBL22989301

CC(C)(C)OC(=O)Nc1ccccc1C(O)c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
IDO1 P14902 1/20 0.41
BRD9 Q9H8M2 1/20 0.39
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
DDX3X O00571 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL8427603 0.80 IDO1 (0.49) RXFP1IDO1BRD9ELANECTRB1
SCHEMBL13359665 0.80 GAA (0.51) IDO1ELANECTRB1LMNAL3MBTL1
SCHEMBL1771858 0.77 IDO1 (0.47) RXFP1IDO1BRD9ELANECTRB1
SCHEMBL4708305 0.77 IDO1 (0.44) RXFP1IDO1BRD9LMNAPOLB
SCHEMBL3783577 0.76 CHRM3 (0.54) RXFP1BRD9LMNAHSP90AA1HSP90AB1
SCHEMBL2737224 0.76 NLRP3 (0.56) RXFP1IDO1LMNAPOLBTP53
SCHEMBL28360191 0.74 LMNA (0.48) RXFP1IDO1BRD9ELANECTRB1
SCHEMBL16791251 0.74 HPGDS (0.49) LMNAGABRB1GABRB2MAPTCTSS
SCHEMBL22851708 0.74 CTSK (0.46) GABRB1GABRB2CTSSCTSK
SCHEMBL31226578 0.74 CTSK (0.46) GABRB1GABRB2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 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 (4 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-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 RXFP1 753/4885IDO1 1586/4885BRD9 4526/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 RXFP1 753/4885IDO1 1586/4885BRD9 4526/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 RXFP1 687/4885IDO1 1343/4885BRD9 4450/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 RXFP1 687/4885IDO1 1343/4885BRD9 4450/4885

“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.