Sugi Predict

Sugi Predict / Compounds / SCHEMBL18596383

SCHEMBL18596383

SCHEMBL18596383

COC(=O)/C=C/CNC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ MAPT P10636 3/20 0.36
▸ TTR P02766 1/20 0.34
▸ APP P05067 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ GFPT1 Q06210 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL5652126 1.00 HCAR2 (0.50) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL17269805 0.82 MAPT (0.58) HCAR2MAPTTTRRAB9ACA12
SCHEMBL9033726 0.82 MAPT (0.58) HCAR2MAPTTTRRAB9ACA12
SCHEMBL5653142 0.79 HCAR2 (0.46) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL19454328 0.78 HCAR2 (0.50) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL4963608 0.77 — —
SCHEMBL4963599 0.77 — —
Hydrochloric Acid SCHEMBL4966555 0.76 HCAR2 (0.52) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5026120 0.76 HCAR2 (0.52) HCAR2NFE2L2KEAP1MAPTTTR
SCHEMBL5026118 0.76 HCAR2 (0.52) HCAR2NFE2L2KEAP1MAPTTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 — — US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 — — 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 (2 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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 HCAR2 4578/4885NFE2L2 2457/4885KEAP1 140/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 HCAR2 4578/4885NFE2L2 2457/4885KEAP1 140/4885

“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.