SCHEMBL360572

SCHEMBL360572

[CH2]N1CCOc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
NOTUM Q6P988 1/20 0.51
PDK1 Q15118 1/20 0.50
LMNA P02545 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
NUDT1 P36639 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.39
ADRB1 P08588 1/20 0.39
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL3314700 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL29598502 0.75 NOTUM (0.56) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL26103119 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL519320 0.75 NOTUM (0.56) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL6114033 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL17226696 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL18026809 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL214286 0.75 NOTUM (0.56) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL15718087 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALNOTUMPDK1
SCHEMBL22068584 0.75 NOTUM (0.47) ITGB2ICAM1ITGALNOTUMPDK1

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-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ITGB2 1592/4885ICAM1 4645/4885ITGAL 1736/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ITGB2 1592/4885ICAM1 4645/4885ITGAL 1736/4885

“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.