SCHEMBL23699729

SCHEMBL23699729

CC(C)(C)OC(=O)C(=O)N1C(=O)c2ccccc2S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
ELANE P08246 1/20 0.37
CA9 Q16790 6/20 0.37
FBP1 P09467 6/20 0.37
CA12 O43570 5/20 0.37
CA2 P00918 5/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PTPRC P08575 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL23699726 0.86 CYP2D6 (0.52) CYP2D6TSHRTPSAB1TPSD1TPSG1
SCHEMBL23699758 0.82 CYP2D6 (0.50) CYP2D6TSHRELANECA9FBP1
SCHEMBL21855131 0.77 CYP2D6 (0.46) CYP2D6TSHRELANECA9FBP1
SCHEMBL23732688 0.70 CYP2D6 (0.56) CYP2D6TSHRELANECA9FBP1
SCHEMBL11443197 0.66 CYP2D6 (0.59) CYP2D6TSHRELANECA9FBP1
SCHEMBL23699755 0.65 CYP2D6 (0.68) CYP2D6TSHRELANECA9FBP1
SCHEMBL23732623 0.65 CYP2D6 (0.54) CYP2D6TSHRTPSAB1TPSD1TPSG1
SCHEMBL5121655 0.64 BCHE (0.54) CA9CA12
SCHEMBL9479383 0.64 ALDH1A1 (0.38) POLBGAAHPGD
SCHEMBL15033556 0.63 LMNA (0.40) CA9CA12PTPRC

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-20240391886-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-11-28 US disclosed
EP-3866773-B1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS UNIV GEORGIA STATE RES FOUND (US) 2024-08-28 EP disclosed
US-12071415-B2 Carbon monoxide prodrugs for the treatment of medical disorders GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-08-27 US disclosed
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 (3 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 CYP2D6 47/4885TSHR 4002/4885TPSAB1 778/4885
US-20240391886-A1 CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS PYGL, HMOX2, MB CYP2D6 47/4885TSHR 4002/4885TPSAB1 778/4885
US-12071415-B2 Carbon monoxide prodrugs for the treatment of medical disorders PYGL, HMOX2, MB CYP2D6 47/4885TSHR 4002/4885TPSAB1 778/4885

“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.