SCHEMBL8284484

SCHEMBL8284484

CC(C)(C)OC(=O)[C@H](CO)NCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ XBP1 P17861 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPR3 P17342 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ FAAH O00519 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
SCHEMBL10209050 0.84 CTSK (0.41) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL23901484 0.82 MEN1 (0.35) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL27897841 0.82 MEN1 (0.35) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL10210577 0.81 NPSR1 (0.50) TDP1POLBNPSR1KMT2AMAPT
SCHEMBL19365645 0.81 CYP2D6 (0.41) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL12627973 0.81 NPSR1 (0.50) TDP1POLBNPSR1KMT2AMAPT
SCHEMBL13993198 0.81 GRN (0.43) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL19609 0.81 CYP2D6 (0.41) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL14856408 0.80 TDP1 (0.37) TDP1POLBNPSR1ITGA4ITGB7
SCHEMBL13863595 0.80 TDP1 (0.37) TDP1POLBNPSR1ITGA4ITGB7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 — — US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 — — US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 — — 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 (5 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 TDP1 2338/4885POLB 3205/4885NPSR1 200/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TDP1 2304/4885POLB 1285/4885NPSR1 2352/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TDP1 2304/4885POLB 1285/4885NPSR1 2352/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TDP1 2304/4885POLB 1285/4885NPSR1 2352/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TDP1 2304/4885POLB 1285/4885NPSR1 2352/4885

“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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