SCHEMBL1978012

SCHEMBL1978012

COc1cc(CN2CC(C(=O)O)C2)cc(-c2cccs2)c1OCCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.46
S1PR5 Q9H228 12/20 0.45
S1PR3 Q99500 8/20 0.45
S1PR4 O95977 2/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1979472 0.95 S1PR1 (0.47) S1PR1S1PR5S1PR3S1PR4PDCD1
SCHEMBL1979473 0.90 S1PR1 (0.42) S1PR1S1PR5S1PR3S1PR4PDCD1
SCHEMBL1981594 0.89 S1PR1 (0.49) S1PR1S1PR5S1PR3S1PR4
SCHEMBL1978561 0.85 S1PR1 (0.51) S1PR1S1PR5S1PR3S1PR4
SCHEMBL1977547 0.85 S1PR1 (0.51) S1PR1S1PR5S1PR3S1PR4
SCHEMBL27889150 0.78 S1PR1 (0.47) S1PR1S1PR5S1PR3S1PR4
SCHEMBL1977733 0.75 S1PR1 (0.50) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3047297 0.75 S1PR5 (0.62) S1PR1S1PR5S1PR4PDCD1CD274
SCHEMBL1978057 0.75 S1PR5 (0.48) S1PR1S1PR5S1PR3S1PR4
SCHEMBL1978594 0.75 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653062-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-02-18 US claimed
EP-2504328-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-10-03 EP claimed
US-20110152241-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-23 US claimed
WO-2011066179-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-03 WO claimed
US-8653062-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-02-18 US disclosed
EP-2504328-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-10-03 EP disclosed
US-20110152241-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-23 US disclosed
WO-2011066179-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-03 WO 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-20110152241-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 4/4885S1PR3 1/4885

“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.