SCHEMBL26176804

SCHEMBL26176804

CS(=O)(=O)N1CC[C@H](I)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 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
SCHEMBL16905072 1.00 TP53 (0.41) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15431984 0.86 TP53 (0.48) TP53TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL15431973 0.80
SCHEMBL12385777 0.79 TP53 (0.42) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4760535 0.79 TP53 (0.42) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL264889 0.79 TP53 (0.42) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL22134139 0.77 TP53 (0.41) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL22134137 0.77 TP53 (0.41) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3313072 0.76 TP53 (0.44) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL18254449 0.74 TP53 (0.42) TP53TSHRSMN1; SMN2ALDH1A1MAPK1

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-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 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-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB TP53 3918/4885TSHR 205/4885SMN1; SMN2 4338/4885

“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.