Sugi Predict

Sugi Predict / Compounds / SCHEMBL24328866

SCHEMBL24328866

SCHEMBL24328866

N#Cc1ccc2c(c1)OCC(CO)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.44
▸ PRKAB2 O43741 2/20 0.40
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAA1 Q13131 2/20 0.40
▸ PRKAG3 Q9UGI9 2/20 0.40
▸ PRKAG2 Q9UGJ0 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ DRD2 P14416 8/20 0.40
▸ DRD3 P35462 8/20 0.40
▸ DAO P14920 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA2 P00918 3/20 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
SCHEMBL6738922 0.94 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL15865467 0.94 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL15865348 0.94 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL24328794 0.88 FFAR1 (0.43) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL24328792 0.80 DAO (0.40) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL204510 0.79 GRM2 (0.46) FFAR1DRD2DRD3ALDH1A1LMNA
SCHEMBL17272684 0.79 FFAR1 (0.47) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL5917859 0.79 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL15864965 0.79 FFAR1 (0.47) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL26750469 0.79 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1

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-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 — — US disclosed
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 — — US disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 — — US disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — 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 (3 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-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 FFAR1 3500/4885PRKAB2 697/4885PRKAG1 342/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 FFAR1 3096/4885PRKAB2 815/4885PRKAG1 483/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR FFAR1 2846/4885PRKAB2 925/4885PRKAG1 555/4885

“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.