SCHEMBL21669308

SCHEMBL21669308

CCOC(=O)C(COC(=O)CCS(=O)(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
CTSK P43235 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CTSS P25774 4/20 0.38
KMT2A Q03164 2/20 0.37
CAPN1 P07384 1/20 0.37
POLB P06746 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL21668919 0.90 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21669297 0.88 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21646116 0.87 PPARA (0.44) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21646115 0.87 PPARA (0.44) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL5148927 0.83 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21669301 0.83 L3MBTL1 (0.43) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL18354703 0.83 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL18360422 0.80 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL26598548 0.80 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL31678579 0.80 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829568-B1 SULFOPROPANOIC ACID DERIVATIVES FOR TREATING NEURODEGENERATIVE DISORDERS ALZHEON INC (US) 2023-09-06 EP disclosed
US-20220087967-A1 SULFOPROPANOIC ACID DERIVATIVES FOR TREATING NEURODEGENERATIVE DISORDERS ALZHEON, INC. 2022-03-24 US disclosed
WO-2020028348-A1 SULFOPROPANOIC ACID DERIVATIVES FOR TREATING NEURODEGENERATIVE DISORDERS ALZHEON, INC. (US) 2020-02-06 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 (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-20220087967-A1 SULFOPROPANOIC ACID DERIVATIVES FOR TREATING NEURODEGENERATIVE DISORDERS PSEN1, APP, PSEN2 CYP1A2 4418/4885CYP2C9 4626/4885CYP2C19 4608/4885

“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.