SCHEMBL2723216

SCHEMBL2723216

CC[C@H](C)[C@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)NC[C@@H](N)CS

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTB P49356 4/20 0.86
▸ FNTA P49354 3/20 0.86
▸ PGGT1B P53609 2/20 0.86
▸ EGFR P00533 1/20 0.85
▸ FYN P06241 1/20 0.85
▸ CHRM2 P08172 1/20 0.85
▸ CYP3A4 P08684 1/20 0.85
▸ ADRA2A P08913 1/20 0.85
▸ CYP2D6 P10635 1/20 0.85
▸ DRD2 P14416 1/20 0.85
▸ ADRA2C P18825 1/20 0.85
▸ TACR2 P21452 1/20 0.85
▸ MC5R P33032 1/20 0.85
▸ DRD3 P35462 1/20 0.85
▸ MC3R P41968 1/20 0.85
▸ ALDH1A1 P00352 1/20 0.85
▸ MAPT P10636 1/20 0.85
▸ SMN1; SMN2 Q16637 1/20 0.85
▸ TDP1 Q9NUW8 1/20 0.85
▸ MME P08473 1/20 0.43

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
SCHEMBL2723220 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL17534944 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL2723214 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL14640162 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL16111867 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL5310547 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL1683561 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL5310552 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL17534946 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL16111866 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN

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-20130225671-A1 Methods of Treating Seizure Disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 — — US disclosed
WO-2012054724-A1 METHODS OF TREATING SEIZURE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-26 — — 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 (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-20130225671-A1 Methods of Treating Seizure Disorders NRAS, FAH, HMGCR FNTB 37/4885FNTA 12/4885PGGT1B 1463/4885

“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.

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