SCHEMBL21669244

SCHEMBL21669244

COC(O)C(NC(=O)OCc1ccccc1)c1ccc(OC(=O)CCS(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
ATM Q13315 1/20 0.43
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
KLK1 P06870 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MMP13 P45452 1/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TOP2A P11388 1/20 0.38

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
SCHEMBL21669236 0.91 CA1 (0.43) CA1CA2ACHEATMCTSL
SCHEMBL21669233 0.91 CA1 (0.43) CA1CA2ACHEATMCTSL
SCHEMBL21669240 0.90 CA1 (0.42) CA1CA2ACHEATMCTSL
SCHEMBL24283208 0.86 TRPM8 (0.48) ATMCTSLCTSSALDH1A1
SCHEMBL21669256 0.83 CA1 (0.45) CA1CA2ACHEATMCTSL
SCHEMBL24282829 0.83 CA1 (0.43) CA1CA2ACHEATMCTSL
SCHEMBL21669311 0.82 KMT2A (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL24282880 0.82 ALDH1A1 (0.37) CA1CA2CTSSALDH1A1MMP13
SCHEMBL24282890 0.79 TRPM8 (0.46) ATMCTSLCTSSMMP13
SCHEMBL24282891 0.79 TRPM8 (0.44) ATMCTSLCTSSTOP2ATOP2B

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 CA1 713/4885CA2 2469/4885ACHE 317/4885

“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.