SCHEMBL23901563

SCHEMBL23901563

CC(C)NC(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.58
ITGB7 P26010 2/20 0.58
MAPT P10636 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
POLB P06746 3/20 0.54
REN P00797 2/20 0.52
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ATM Q13315 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPR3 P17342 1/20 0.51
CYP2C19 P33261 1/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL23999577 1.00 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL9069634 0.88 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL8861579 0.88 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL9069632 0.88 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7316995 0.86 ITGA4 (0.54) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL10447913 0.85 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL9442952 0.85 REN (0.57) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL9442931 0.85 REN (0.57) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7326560 0.85 REN (0.57) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7328544 0.85 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 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 (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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ITGA4 2971/4885ITGB7 2607/4885MAPT 4460/4885

“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.