SCHEMBL23732687

SCHEMBL23732687

COC(=O)C(=O)N1Cc2ccccc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RYR2 Q92736 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ FFAR4 Q5NUL3 6/20 0.39
▸ FFAR1 O14842 5/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ PER2 O15055 1/20 0.36
▸ CRY1 Q16526 1/20 0.36
▸ CRY2 Q49AN0 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 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
SCHEMBL23733163 0.85 FFAR4 (0.42) TDP1FFAR4FFAR1PER2CRY1
SCHEMBL23732692 0.82 FFAR4 (0.46) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL23732686 0.81 FFAR4 (0.42) RYR2FFAR4FFAR1PER2CRY1
SCHEMBL7357322 0.77 FFAR4 (0.44) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL31568234 0.75 MAPK1 (0.45) FFAR4FFAR1
SCHEMBL23732689 0.74 HPGD (0.41) RYR2TDP1ATMRECQLCYP1A2
SCHEMBL3587960 0.68 FFAR4 (0.42) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL8157650 0.68 BRD4 (0.50) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL23732688 0.67 CYP2D6 (0.56) —
SCHEMBL9255195 0.65 CACNA1H (0.43) FFAR4FFAR1PER2CRY1CRY2

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 RYR2 198/4885TDP1 1499/4885ATM 3456/4885

“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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