SCHEMBL31452292

SCHEMBL31452292

CC(=O)O[C@H]1[C@@H]2NC(=O)c3c(O)cccc3[C@H]2C[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.35
HTR2C P28335 10/20 0.35
HTR2B P41595 10/20 0.35
P4HB P07237 3/20 0.33
PDIA4 P13667 2/20 0.33
PDIA3 P30101 2/20 0.33
POLB P06746 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL31452409 0.87 POLL (0.37) HTR2AHTR2CHTR2BPOLB
SCHEMBL31452279 0.77 KRAS (0.34) P4HB
SCHEMBL31452350 0.73 CYP1A1 (0.37)
SCHEMBL31452289 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BPOLBMAOA
SCHEMBL31452285 0.62 POLL (0.44) HTR2AHTR2CHTR2BPOLB
SCHEMBL3170686 0.58 SMN1; SMN2 (0.50) POLB
SCHEMBL9617994 0.58 CHRM2 (0.38) POLB
SCHEMBL6249889 0.57 KDM1A (0.42)
SCHEMBL22866536 0.57 CA2 (0.47)
SCHEMBL17205762 0.57 CA2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2025-02-27 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 (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-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF ATF4, ATF1, CGAS HTR2A 3864/4885HTR2C 3784/4885HTR2B 4215/4885

“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.