SCHEMBL23732686

SCHEMBL23732686

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.42
▸ FFAR1 O14842 5/20 0.42
▸ RYR2 Q92736 2/20 0.40
▸ PER2 O15055 1/20 0.39
▸ CRY1 Q16526 1/20 0.39
▸ CRY2 Q49AN0 1/20 0.39
▸ CACNA1H O95180 2/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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 0.91 FFAR4 (0.42) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL7357322 0.86 FFAR4 (0.44) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL23732692 0.82 FFAR4 (0.46) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL23732687 0.81 RYR2 (0.44) FFAR4FFAR1RYR2PER2CRY1
SCHEMBL31568234 0.73 MAPK1 (0.45) FFAR4FFAR1CACNA1HKCNH2
SCHEMBL5456854 0.72 PER2 (0.43) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL10446921 0.71 PER2 (0.50) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL23732690 0.70 GRM4 (0.40) CA12CA2CA9NPC1RAB9A
SCHEMBL3587960 0.69 FFAR4 (0.42) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL8157650 0.68 BRD4 (0.50) 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 FFAR4 1427/4885FFAR1 945/4885RYR2 198/4885

“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.

Send feedback