SCHEMBL17348332

SCHEMBL17348332

Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccc3)c2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
GCK P35557 1/20 0.38
RAF1 P04049 2/20 0.38

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
SCHEMBL29446499 1.00 POLB (0.46) POLBERCC5FEN1HPGDRAB9A
SCHEMBL24242699 0.91 KMT2A (0.45) POLBHPGDRAB9ACYP1A2CYP3A4
SCHEMBL17336824 0.90 POLB (0.51) POLBERCC5FEN1HPGDRAB9A
SCHEMBL29446498 0.89 PTPN1 (0.48) POLBHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17348360 0.89 PTPN1 (0.48) POLBHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL29446504 0.89 HPGD (0.40) POLBHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17348341 0.89 HPGD (0.40) POLBHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL29446493 0.87 POLB (0.44) POLBHPGDRAB9ACYP1A2CYP3A4
SCHEMBL17336849 0.87 POLB (0.44) POLBHPGDRAB9ACYP1A2CYP3A4
SCHEMBL2320083 0.86 POLB (0.43) POLBHPGDRAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 WO 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 (4 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 POLB 3950/4885ERCC5 4801/4885FEN1 4807/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 POLB 3950/4885ERCC5 4801/4885FEN1 4807/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 POLB 3950/4885ERCC5 4801/4885FEN1 4807/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 POLB 3950/4885ERCC5 4801/4885FEN1 4807/4885

“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.