SCHEMBL15042476

SCHEMBL15042476

O=[PH](O)OCCCNCc1ccc(OCCCCCc2ccc(F)cc2)c(-c2ccco2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.37
S1PR1 P21453 7/20 0.37
S1PR3 Q99500 7/20 0.37
LPAR2 Q9HBW0 7/20 0.37
ALDH1A1 P00352 2/20 0.36
SCN8A Q9UQD0 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL15042553 0.99 ALDH1A1 (0.36) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042607 0.93 ALDH1A1 (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042486 0.91 KMT2A (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042597 0.90 ALDH1A1 (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042484 0.89 S1PR2 (0.42) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042579 0.89 ALDH1A1 (0.34) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042532 0.89 KMT2A (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042586 0.88 KDM4E (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL15042524 0.87 CHRM2 (0.40) S1PR2S1PR1S1PR3LPAR2KDM4E
SCHEMBL15042485 0.87 SCN8A (0.43) S1PR2S1PR1S1PR3LPAR2SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 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-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885

“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.