SCHEMBL1661129

SCHEMBL1661129

O=C(O)CCn1ccc2c[c]ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.52
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ITGB3 P05106 3/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ ITGB5 P18084 2/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ TERT O14746 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL1661107 0.91 KMO (0.43) KMOLMNAKMT2ACDK4CCND1
SCHEMBL1660960 0.84 KMT2A (0.60) KMOLMNAKMT2AMAPTITGB3
SCHEMBL5780811 0.82 LMNA (0.41) KMOLMNAKMT2AMAPK1HSD17B10
SCHEMBL27382849 0.80 CDK4 (0.41) KMOLMNACDK4CCND1MAPK1
SCHEMBL1450476 0.80 CDK4 (0.41) LMNAKMT2AMAPTCDK4CCND1
SCHEMBL16719844 0.78 CDK4 (0.44) LMNACDK4CCND1MAPK1HSD17B10
SCHEMBL526317 0.77 LMNA (0.73) KMOLMNAKMT2ACREBBPEGLN3
SCHEMBL29684637 0.77 LMNA (0.73) KMOLMNAKMT2ACREBBPEGLN3
SCHEMBL694594 0.77 CDK4 (0.41) LMNACDK4CCND1MAPK1
SCHEMBL5777824 0.77 MAPK1 (0.66) LMNAKMT2AMAPTMAPK1HSD17B10

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 11 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 claimed
JP-2011524906-A — — 2011-09-08 — — JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 — — EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 — — US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 — — US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 — — WO claimed
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 KMO 1863/4885LMNA 3214/4885KMT2A 3037/4885

“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.

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