SCHEMBL2533817

SCHEMBL2533817

O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 1.00
▸ TSHR P16473 4/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ TP53 P04637 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ KMT2A Q03164 12/20 0.83
▸ MEN1 O00255 11/20 0.83
▸ SMN1; SMN2 Q16637 6/20 0.83
▸ ALDH1A1 P00352 6/20 0.83
▸ NPSR1 Q6W5P4 2/20 0.83
▸ LMNA P02545 6/20 0.82
▸ HPGD P15428 2/20 0.82
▸ GAA P10253 2/20 0.80
▸ HTT P42858 1/20 0.80
▸ RAB9A P51151 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL2527962 0.90 MAPT (1.00) MAPTTSHRMAPK1TP53HSD17B10
SCHEMBL2534117 0.89 KMT2A (1.00) MAPTTSHRMAPK1TP53HSD17B10
SCHEMBL2535208 0.85 MAPT (1.00) MAPTTSHRMAPK1TP53HSD17B10
SCHEMBL24711194 0.81 KMT2A (0.71) MAPTTSHRMAPK1TP53HSD17B10
SCHEMBL27628011 0.80 MAPT (0.73) MAPTTSHRMAPK1TP53HSD17B10
SCHEMBL6632563 0.76 RAB9A (0.68) MAPTTSHRMAPK1KMT2AMEN1
SCHEMBL6632076 0.76 NPC1 (1.00) MAPTTSHRMAPK1KMT2AMEN1
SCHEMBL6633899 0.75 PTPN2 (0.75) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL23011774 0.75 ALDH1A1 (0.84) MAPTTSHRMAPK1KMT2AMEN1
SCHEMBL27608843 0.73 MAOB (0.68) MAPTTSHRMAPK1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — US claimed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — 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-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 MAPT 1940/4885TSHR 390/4885MAPK1 1255/4885

“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.

Send feedback