SCHEMBL23733141

SCHEMBL23733141

O=C(C(=O)N1S(=O)(=O)c2ccccc2S1(=O)=O)N1S(=O)(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GRM4 Q14833 2/20 0.40
▸ CA2 P00918 7/20 0.39
▸ CA9 Q16790 7/20 0.39
▸ CA12 O43570 7/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL23732690 0.89 GRM4 (0.40) LMNAHPGDGRM4CA2CA9
SCHEMBL23732689 0.82 HPGD (0.41) LMNAHPGDGRM4CA2CA9
SCHEMBL23732691 0.79 BCHE (0.38) HPGDGRM4CA2CA9CA12
SCHEMBL26225350 0.69 GPR3 (0.42) LMNAHPGDCA2CA9CA12
SCHEMBL29374332 0.69 GPR3 (0.42) LMNAHPGDCA2CA9CA12
SCHEMBL12044724 0.69 CA9 (0.50) LMNAHPGDCA2CA9CA12
SCHEMBL23733163 0.66 FFAR4 (0.42) —
SCHEMBL23699755 0.66 CYP2D6 (0.68) CA2CA9CA12CYP2D6TSHR
SCHEMBL23733035 0.65 GPR3 (0.39) LMNAHPGDGRM4CA2CA9
SCHEMBL7917124 0.65 GRM4 (0.62) LMNAHPGDGRM4CA2CA9

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-20210238155-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-08-05 — — 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-20210238155-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS PYGL, HMOX2, MB LMNA 3276/4885HPGD 37/4885GRM4 2515/4885

“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.

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