SCHEMBL2837541

SCHEMBL2837541

CC(C)(C)OC(=O)NC(c1ccc(Cl)c(F)c1)C(O)c1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.38
APP P05067 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
TRPA1 O75762 1/20 0.35
S1PR1 P21453 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
GPR139 Q6DWJ6 3/20 0.33

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
SCHEMBL2834220 0.90 S1PR3 (0.42) S1PR3LMNAHTTAAK1ALDH1A1
SCHEMBL2832183 0.88 S1PR3 (0.35) S1PR3MAPTHPGDMAPK1HTT
SCHEMBL2834769 0.88 ALDH1A1 (0.41) S1PR3LMNAHTTNPSR1AAK1
SCHEMBL2837593 0.86 PDE2A (0.40) AAK1
SCHEMBL2833402 0.85 MEN1 (0.36) S1PR3MAPTHPGDLMNAMAPK1
SCHEMBL2833280 0.83 S1PR3 (0.42) S1PR3APPMAPTHPGDAAK1
SCHEMBL2834178 0.81 MDM2 (0.41) S1PR3APPMAPTTRPA1S1PR1
SCHEMBL2834488 0.79 PPARG (0.42) MAPT
SCHEMBL2837598 0.78 S1PR3 (0.42) S1PR3LMNAHTTAAK1ALDH1A1
SCHEMBL24645224 0.77 TRPA1 (0.45) S1PR3MAPTHPGDLMNATRPA1

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 S1PR3 2311/4885APP 258/4885MAPT 25/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885APP 258/4885MAPT 25/4885

“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.