SCHEMBL2833085

SCHEMBL2833085

Cc1cc(CC(NC(=O)OC(C)(C)C)c2ccc(Cl)c(Cl)c2)cnc1OC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.38
S1PR3 Q99500 1/20 0.36
ACACB O00763 4/20 0.36
CDK2 P24941 1/20 0.35
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 5/20 0.34
CTSL P07711 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
SCHEMBL2837082 0.95 MAPK1 (0.38) MAPK1S1PR3ACACBCDK2
SCHEMBL2833824 0.84 S1PR3 (0.38) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2835006 0.83 S1PR3 (0.42) MAPK1S1PR3P2RX3P2RX2
SCHEMBL2832253 0.83 MAPK1 (0.41) MAPK1S1PR3P2RX3P2RX2
SCHEMBL2837373 0.78 S1PR3 (0.43) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2837092 0.76 S1PR3 (0.42) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2836777 0.76 ACACB (0.38) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2836827 0.74 S1PR3 (0.38) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2834066 0.74 S1PR3 (0.43) MAPK1S1PR3ACACBP2RX3P2RX2
SCHEMBL2833250 0.74 S1PR3 (0.44) S1PR3ACACBP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MAPK1 1438/4885S1PR3 2311/4885ACACB 996/4885

“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.