SCHEMBL2833200

SCHEMBL2833200

COc1cc(Br)ccc1C(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.44
S1PR3 Q99500 1/20 0.44
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
AKT1 P31749 1/20 0.35
HPGD P15428 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 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
SCHEMBL2833304 0.88 S1PR3 (0.45) AAK1S1PR3GAAMAPTHPGD
SCHEMBL2834826 0.87 AAK1 (0.45) AAK1S1PR3GAAMAPT
SCHEMBL2834720 0.82 S1PR3 (0.44) AAK1S1PR3HPGDAKR1C3AKR1C2
SCHEMBL2833350 0.80 S1PR3 (0.50) AAK1S1PR3
SCHEMBL2839096 0.80 S1PR3 (0.42) AAK1S1PR3AKT1AKR1C3AKR1C2
SCHEMBL2836601 0.78 S1PR3 (0.51) AAK1S1PR3RECQL
SCHEMBL2837077 0.76 S1PR3 (0.53) AAK1S1PR3
SCHEMBL3795868 0.76 S1PR3 (0.43) S1PR3HPGD
SCHEMBL2835001 0.75 S1PR3 (0.48) S1PR3
SCHEMBL3814665 0.74 TAS1R3 (0.44) AAK1S1PR3POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 AAK1 1304/4885S1PR3 2311/4885POLB 2783/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 AAK1 1304/4885S1PR3 2311/4885POLB 2783/4885

“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.