Sugi Predict

Sugi Predict / Compounds / SCHEMBL22889592

SCHEMBL22889592

SCHEMBL22889592

CC(C)C(=O)c1cc(O)c(N)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.59
▸ GAA P10253 4/20 0.59
▸ RECQL P46063 2/20 0.59
▸ DBH P09172 1/20 0.59
▸ FFAR1 O14842 1/20 0.47
▸ GSK3B P49841 1/20 0.39
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ FUT7 Q11130 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 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
SCHEMBL6357899 0.82 KDM4E (0.63) KDM4EGAARECQLDBHFFAR1
SCHEMBL22889639 0.82 GAA (0.53) KDM4EGAARECQLDBHFFAR1
SCHEMBL12377739 0.80 KDM4E (0.61) KDM4EGAARECQLDBHFFAR1
SCHEMBL10146785 0.78 KDM4E (0.44) KDM4EGAARECQLDBHFFAR1
SCHEMBL22889591 0.78 GAA (0.48) KDM4EGAARECQLDBHFFAR1
SCHEMBL9962964 0.78 GAA (0.56) KDM4EGAARECQLDBHFFAR1
SCHEMBL10819621 0.77 KDM4E (0.47) KDM4EGAARECQLDBHFFAR1
SCHEMBL17718140 0.75 KDM4E (0.55) KDM4EGAARECQLDBHFFAR1
SCHEMBL15631135 0.75 KDM4E (0.55) KDM4EGAARECQLDBHFFAR1
SCHEMBL16256439 0.75 KDM4E (0.54) KDM4EGAARECQLDBHFFAR1

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-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 — — 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-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER MMP1, MMP8, SERPINB1 KDM4E 2804/4885GAA 1080/4885RECQL 1582/4885

“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.