SCHEMBL1661552

SCHEMBL1661552

C=C(c1ccccc1)c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.42
S1PR3 Q99500 11/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 1/20 0.33

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
SCHEMBL1662041 0.88 S1PR1 (0.49) S1PR1S1PR3KDM4ELMNANFKB1
SCHEMBL1661378 0.87 S1PR1 (0.49) S1PR1S1PR3KDM4ELMNANFKB1
SCHEMBL1663946 0.86 S1PR1 (0.40) S1PR1S1PR3DRD3
SCHEMBL1661947 0.84 S1PR1 (0.38) S1PR1S1PR3DRD3
SCHEMBL1661932 0.84 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1661351 0.81 S1PR1 (0.61) S1PR1S1PR3KDM4ELMNANFKB1
SCHEMBL1661803 0.81 SMN1; SMN2 (0.46) S1PR1S1PR3KDM4ELMNASMN1; SMN2
SCHEMBL1662511 0.80 APP (0.41) S1PR1S1PR3SMN1; SMN2
SCHEMBL1661746 0.79 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL17801761 0.79 NPC1 (0.48) S1PR1S1PR3KDM4ENFKB1NFKB2

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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885KDM4E 2878/4885

“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.