SCHEMBL2833970

SCHEMBL2833970

CC(C)(C)OC(=O)NC(C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.48
MDM2 Q00987 4/20 0.40
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR4 O95977 2/20 0.35
TRPA1 O75762 1/20 0.35
S1PR5 Q9H228 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL2835071 0.92 S1PR3 (0.41) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2841519 0.89 S1PR3 (0.47) S1PR3MDM2CTSSCTSKTRPA1
SCHEMBL2835057 0.85 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2837332 0.84 S1PR3 (0.40) S1PR3MDM2CTSSCTSKTRPA1
SCHEMBL2835001 0.84 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2832303 0.83 S1PR3 (0.49) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2836642 0.83 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2833750 0.83 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2835032 0.82 S1PR3 (0.46) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2834042 0.82 S1PR3 (0.48) S1PR3MDM2CTSSCTSKTRPA1

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 2311/4885MDM2 4155/4885CTSS 3935/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885MDM2 4155/4885CTSS 3935/4885

“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.