SCHEMBL31452279

SCHEMBL31452279

CC(=O)O[C@H]1[C@@H]2NC(=O)c3ccc(O)cc3[C@H]2C[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.34
MAPK1 P28482 2/20 0.33
AKR1C3 P42330 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD17B1 P14061 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
BRCA1 P38398 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
P4HB P07237 1/20 0.30
RPS6KA3 P51812 1/20 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
SCHEMBL31452350 0.87 CYP1A1 (0.37) MAPK1GABRA1GABRB2MEN1LMNA
SCHEMBL31452292 0.77 HTR2A (0.35) P4HB
SCHEMBL31452409 0.73 POLL (0.37) TSHRHSD17B10GABRA1GABRB2MEN1
SCHEMBL31452272 0.73 DYRK1A (0.38) KRASHSD17B10KMT2A
SCHEMBL18786964 0.64 MKNK2 (0.46) KRASKMT2A
SCHEMBL13904591 0.63 CYP3A4 (0.39) TSHRHSD17B10MEN1LMNACYP3A4
SCHEMBL13904588 0.63 CYP3A4 (0.39) TSHRHSD17B10MEN1LMNACYP3A4
SCHEMBL6249889 0.63 KDM1A (0.42) GABRA1GABRB2LMNA
SCHEMBL31452313 0.62 METAP1 (0.36) MEN1LMNACYP3A4ALOX15KMT2A
SCHEMBL26568794 0.58 CHRM2 (0.37) TSHRMEN1KMT2ARPS6KA3

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 KRAS 1729/4885MAPK1 1246/4885AKR1C3 790/4885

“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.