SCHEMBL1105702

SCHEMBL1105702

CC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 1/20 0.47
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SYK P43405 1/20 0.42
SERPINE1 P05121 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2D6 P10635 1/20 0.42
APLNR P35414 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL86341 0.92 PCSK9 (0.46) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL9220420 0.90 MEN1 (0.46) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL3163216 0.90 TDP1 (0.49) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL4270603 0.90 TDP1 (0.49) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL4269209 0.90 TDP1 (0.49) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL19628801 0.90 MEN1 (0.46) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL17019827 0.90 MEN1 (0.46) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL21004142 0.89 PCSK9 (0.44) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL6518304 0.88 MEN1 (0.45) PCSK9MEN1GAAKMT2ATDP1
SCHEMBL21361608 0.88 CA1 (0.46) PCSK9MEN1GAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
US-8445611-B2 Antimicrobial polymers UNIVERSITY OF MASSACHUSETTS (US) 2013-05-21 US disclosed
US-8445611-B2 Antimicrobial polymers UNIVERSITY OF MASSACHUSETTS (US) 2013-05-21 US disclosed
US-20120195849-A1 ANTIMICROBIAL POLYMERS MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2012-08-02 US disclosed
US-8153739-B2 Antimicrobial polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-04-10 US disclosed
US-20100317870-A1 ANTIMICROBIAL POLYMERS MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2010-12-16 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-20100317870-A1 ANTIMICROBIAL POLYMERS CGAS, NOD2, NLRP1 PCSK9 4441/4885MEN1 104/4885GAA 4206/4885
US-20120195849-A1 ANTIMICROBIAL POLYMERS CGAS, NOD2, NLRP1 PCSK9 4441/4885MEN1 104/4885GAA 4206/4885

“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.