SCHEMBL8283259

SCHEMBL8283259

Cc1cc(-c2nc(-c3ccc(C=O)cc3)no2)ccc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.54
S1PR3 Q99500 10/20 0.54
S1PR5 Q9H228 9/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6113635 0.88 S1PR3 (0.52) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL28657010 0.86 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL4951756 0.84 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL28656867 0.84 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1969165 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR5MAPT
SCHEMBL12582041 0.82 MAP4K4 (0.45) S1PR1S1PR3MAPT
SCHEMBL1969686 0.82 MAP4K4 (0.60) S1PR1S1PR3S1PR5
SCHEMBL3456562 0.81 ALDH1A3 (0.59) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL8283256 0.81 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1965122 0.80 S1PR1 (0.62) S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497255-B2 Phosphonic acids as S1P receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-20120129814-A1 NOVEL PHOSPHONIC ACIDS AS S1P RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-05-24 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-20120129814-A1 NOVEL PHOSPHONIC ACIDS AS S1P RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885S1PR5 3/4885

“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.