SCHEMBL3876359

SCHEMBL3876359

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nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CYP2C19 P33261 1/20 0.39
CPA1 P15085 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7421629 1.00 TSHR (0.41) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL1865400 1.00 TSHR (0.41) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL1133379 0.85 GRIK1 (0.46) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL8596279 0.85 GRIK1 (0.37) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL2361609 0.80 GRIK1 (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL2361611 0.80 GRIK1 (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL23688391 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL8020514 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6530499 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL8017237 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
WO-1994026749-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
US-5086062-A Inhibitors of lipoxygenase and-or cyclooxygenase enzymes PFIZER INC. (US) 1992-02-04 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 (3 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-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD TSHR 3346/4885GRIK1 4070/4885GRIK2 4324/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 TSHR 1756/4885GRIK1 3847/4885GRIK2 4204/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 TSHR 3477/4885GRIK1 786/4885GRIK2 1283/4885

“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.