SCHEMBL1688813

SCHEMBL1688813

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
CYP2D6 P10635 1/20 0.37
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
APLNR P35414 1/20 0.35
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 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
SCHEMBL21392348 0.84 DGAT1 (0.37) DGAT1CYP2D6CA2CA12CA14
SCHEMBL6179481 0.82 LMNA (0.41) DGAT1CYP2D6CA2CA12CA14
SCHEMBL241533 0.82 DGAT1 (0.46) DGAT1CYP2D6CA2CA12CA14
SCHEMBL19821874 0.80 ALDH1A1 (0.32) MCL1LMNATDP1GAA
Methyl Alcohol SCHEMBL27995686 0.79 DGAT1 (0.44) DGAT1CYP2D6CA2CA12CA14
SCHEMBL1246384 0.79 CTSD (0.39) DGAT1CYP2D6CA2CA12CA14
SCHEMBL14957644 0.79 CA2 (0.38) DGAT1CYP2D6CA2CA12CA14
SCHEMBL24289242 0.79 TSHR (0.43) DGAT1CYP2D6CA2LMNATDP1
SCHEMBL28452577 0.77 CAPN1 (0.39) DGAT1CYP2D6CA2CA12CA14
SCHEMBL2648388 0.77 DGAT1 (0.42) DGAT1CYP2D6CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132386-A9 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. 2023-04-27 US disclosed
US-20220135593-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC (US) 2022-05-05 US disclosed
WO-2017218633-A1 6-HYDROXY-5-(PHENYL/HETEROARYLSULFONYL)PYRIMIDIN-4(1H)-ONE AS APJ AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-21 WO disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 US disclosed
US-RE32491-E BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-09-01 US disclosed
US-4404373-A Process for the preparation of 7α-methoxy-7β-(1,3-diethietane-2-carboxamido)cephalosporanic acid derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 US disclosed
US-4263432-A ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-04-21 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-20230132386-A9 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB DGAT1 2189/4885CYP2D6 3964/4885CA2 2075/4885
US-20220135593-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB DGAT1 2189/4885CYP2D6 3964/4885CA2 2075/4885
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 DGAT1 2416/4885CYP2D6 4845/4885CA2 1637/4885

“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.