SCHEMBL2833348

SCHEMBL2833348

CON(C)C(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.41
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
APP P05067 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TRPA1 O75762 1/20 0.35
GPR139 Q6DWJ6 3/20 0.35
KLRK1 P26718 2/20 0.34
MICA Q29983 2/20 0.34
MAPK1 P28482 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
RAET1L Q5VY80 1/20 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
SCHEMBL2832308 0.90 S1PR3 (0.48) S1PR3JAK3BTKCTSSCTSK
SCHEMBL2837601 0.88 JAK3 (0.40) S1PR3JAK3BTKAPPCTSS
SCHEMBL2834101 0.88 S1PR3 (0.41) S1PR3JAK3BTKCTSSCTSK
SCHEMBL2833275 0.86 PDE2A (0.40) S1PR3JAK3BTKCTSSCTSK
SCHEMBL2834847 0.85 S1PR3 (0.41) S1PR3JAK3BTKCTSSCTSK
SCHEMBL2834038 0.83 S1PR3 (0.45) S1PR3JAK3BTKCTSSCTSK
SCHEMBL14847752 0.83 S1PR3 (0.45) S1PR3JAK3BTKCTSSCTSK
SCHEMBL15670019 0.83 JAK3 (0.43) S1PR3JAK3BTKCTSSCTSK
SCHEMBL14847753 0.83 S1PR3 (0.45) S1PR3JAK3BTKCTSSCTSK
SCHEMBL2835000 0.83 S1PR3 (0.48) S1PR3APPCTSSCTSKTRPA1

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 2311/4885JAK3 3843/4885BTK 1832/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885JAK3 3843/4885BTK 1832/4885

“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.