SCHEMBL2512445

SCHEMBL2512445

CC(C)(C)OC(=O)NC(C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
BTK Q06187 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
AKT1 P31749 2/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL76832 0.81 KDM4C (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL25229366 0.81 MEN1 (0.44) MEN1GAAKMT2ACTSSCTSK
SCHEMBL21834933 0.79 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL8144616 0.79 MEN1 (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16296168 0.79 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL25811478 0.79 CTSK (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22045503 0.77 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK
SCHEMBL13744302 0.77 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22577405 0.77 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1100241 0.77 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9386938-B2 Methods for collagen imaging Collagen Medical, LLC (US) 2016-07-12 US disclosed
US-20120114557-A1 Methods for Collagen Imaging Collagen Medical, LLC (US) 2012-05-10 US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 US disclosed
WO-2007084264-A2 METHODS FOR MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. (US) 2007-07-26 WO disclosed
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 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 (4 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-20120114557-A1 Methods for Collagen Imaging COL14A1, COL2A1, COL1A1 MEN1 1017/4885GAA 3704/4885KMT2A 4757/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 MEN1 2037/4885GAA 3486/4885KMT2A 4870/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 MEN1 822/4885GAA 3768/4885KMT2A 4824/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 MEN1 3694/4885GAA 2574/4885KMT2A 4714/4885

“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.