SCHEMBL1661378

SCHEMBL1661378

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.49
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
S1PR3 Q99500 8/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MITF O75030 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44

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
SCHEMBL1661803 0.89 SMN1; SMN2 (0.46) S1PR1SMN1; SMN2KDM4ELMNAS1PR3
SCHEMBL1661552 0.87 S1PR1 (0.42) S1PR1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL17801761 0.87 NPC1 (0.48) S1PR1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL1661945 0.86 S1PR1 (0.42) S1PR1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL1661351 0.85 S1PR1 (0.61) S1PR1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL1662511 0.84 APP (0.41) S1PR1SMN1; SMN2S1PR3NPC1RAB9A
SCHEMBL1662041 0.81 S1PR1 (0.49) S1PR1NFKB1NFKB2RELASMN1; SMN2
SCHEMBL1661746 0.79 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1661529 0.79 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL1661668 0.78 S1PR1 (0.37) S1PR1S1PR3

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 1/4885NFKB1 2004/4885NFKB2 2534/4885

“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.