SCHEMBL14924044

SCHEMBL14924044

COc1ccc(-n2ccc3cc(CO)cc(OS(C)(=O)=O)c3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
GRM1 Q13255 3/20 0.37
MAPT P10636 1/20 0.36
ESRRA P11474 3/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL14924051 0.89 EGFR (0.54) EGFRGRM1MAPTESRRAESR2
SCHEMBL14924053 0.82 EGFR (0.51) EGFRGRM1MAPTESRRAESR2
SCHEMBL14924080 0.81 ESRRA (0.50) EGFRMAPTESRRAESR2ESR1
SCHEMBL14924074 0.81 ESR2 (0.41) MAPTESRRAESR2ESR1POLB
SCHEMBL14924045 0.77 SUV39H1 (0.41) EGFRMAPTPOLBTHRBTP53
SCHEMBL15026344 0.75 EGFR (0.56) EGFRGRM1MAPTTHRBTP53
SCHEMBL14924013 0.75 ESRRA (0.46) GRM1MAPTESRRAPOLBTHRB
SCHEMBL2592914 0.74 EGFR (0.71) EGFRGRM1ESRRAESR2ESR1
SCHEMBL2594507 0.74 EGFR (0.55) EGFRGRM1MAPTESRRAESR2
SCHEMBL2586027 0.70 EGFR (0.65) EGFRGRM1MAPTESRRAESR2

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-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA EGFR 2299/4885GRM1 924/4885MAPT 4533/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 EGFR 2915/4885GRM1 399/4885MAPT 4539/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 EGFR 2700/4885GRM1 3452/4885MAPT 2354/4885

“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.