SCHEMBL26705010

SCHEMBL26705010

CC(C)(C)COCC(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HPGD P15428 1/20 0.36
CHKA P35790 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
KMT2A Q03164 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL26704160 0.84 L3MBTL1 (0.46) L3MBTL1HPGDKMT2APOLBTSHR
SCHEMBL26704150 0.81 ALDH1A1 (0.44) L3MBTL1GAAPOLBTSHRALDH1A1
SCHEMBL12141202 0.80 ALDH1A1 (0.49) TPSAB1TPSD1TPSG1L3MBTL1CA2
SCHEMBL18026620 0.79 L3MBTL1 (0.70) L3MBTL1HPGDKMT2APOLBTSHR
SCHEMBL12139844 0.79 TPSAB1 (0.47) TPSAB1TPSD1TPSG1L3MBTL1GAA
SCHEMBL26704151 0.77 TSHR (0.41) L3MBTL1GAAHPGDKMT2APOLB
SCHEMBL27836171 0.76 TPSAB1 (0.45) TPSAB1TPSD1TPSG1L3MBTL1GAA
SCHEMBL275988 0.76 TPSAB1 (0.51) TPSAB1TPSD1TPSG1L3MBTL1CA2
SCHEMBL1829291 0.76 CA2 (0.43) TPSAB1TPSD1TPSG1GAASIGMAR1
SCHEMBL3292028 0.75 CA2 (0.39) GAASIGMAR1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 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 (1 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 TPSAB1 2881/4885TPSD1 2313/4885TPSG1 647/4885

“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.