SCHEMBL22334357

SCHEMBL22334357

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12614293 0.76 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12614287 0.76 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7562972 0.75 CYP2D6 (0.41) CYP2D6CA1CA2CA7HDAC3
SCHEMBL4333800 0.73 CYP2D6 (0.35) CYP2D6CA1CA2CA7
SCHEMBL27420033 0.71 NR1D1 (0.38) CYP2D6CA1CA2CA7HDAC3
SCHEMBL22966171 0.70 TDP1 (0.37)
SCHEMBL4331172 0.70
SCHEMBL12614291 0.70 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7563852 0.69 CYP2D6 (0.34) CYP2D6CA1CA2CA7HDAC3
SCHEMBL4338603 0.69 CYP2D6 (0.34) CYP2D6CA1CA2CA7HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639929-B2 Universal histidine-tag binding compounds and methods of use thereof as fluorescent probes and sensors YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-05-02 US disclosed
US-11639929-B2 Universal histidine-tag binding compounds and methods of use thereof as fluorescent probes and sensors YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-05-02 US disclosed
US-20210156867-A1 QUINOLINE BASED CYANINE DYE TURN-ON FLUORESCENT PROBES AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-05-27 US disclosed
US-20200256857-A1 UNIVERSAL HISTIDINE-TAG BINDING COMPOUNDS AND METHODS OF USE THEREOF AS FLUORESCENT PROBES AND SENSORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-08-13 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-11639929-B2 Universal histidine-tag binding compounds and methods of use thereof as fluorescent probes and sensors HCLS1, PHF6, PHPT1 CYP2D6 4632/4885CA1 2275/4885CA2 3017/4885
US-20200256857-A1 UNIVERSAL HISTIDINE-TAG BINDING COMPOUNDS AND METHODS OF USE THEREOF AS FLUORESCENT PROBES AND SENSORS HCLS1, PHF6, PHPT1 CYP2D6 4632/4885CA1 2275/4885CA2 3017/4885

“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.