SCHEMBL2833197

SCHEMBL2833197

CC(C)Oc1ccc(F)c(-c2ccc(C(=O)C(NC(=O)OC(C)(C)C)c3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.46
MDM2 Q00987 3/20 0.42
FFAR4 Q5NUL3 14/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL2833345 0.84 RXRA (0.47) S1PR3MDM2FFAR4
SCHEMBL2836778 0.81 CHRNA1 (0.42) S1PR3MDM2TRPA1
SCHEMBL2834097 0.80 S1PR3 (0.47) S1PR3TRPA1
SCHEMBL2833208 0.79 S1PR3 (0.45) S1PR3MDM2TRPA1
Hydrochloric Acid SCHEMBL2836623 0.79 FFAR4 (0.45) FFAR4
SCHEMBL3795701 0.79 S1PR3 (0.42) S1PR3
SCHEMBL2835001 0.78 S1PR3 (0.48) S1PR3MDM2TRPA1
SCHEMBL2834042 0.78 S1PR3 (0.48) S1PR3MDM2TRPA1
SCHEMBL2835032 0.78 S1PR3 (0.46) S1PR3MDM2TRPA1
SCHEMBL2832303 0.78 S1PR3 (0.49) S1PR3MDM2

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 4155/4885FFAR4 2991/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885MDM2 4155/4885FFAR4 2991/4885

“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.