SCHEMBL21603644

SCHEMBL21603644

C[C@H]1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 5/20 0.44
CXCR2 P25025 4/20 0.43
KIF11 P52732 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
FLT3 P36888 1/20 0.42
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21604170 1.00 CNR2 (0.44) CNR2CNR1CXCR2KIF11KDM4E
SCHEMBL27416460 1.00 CNR2 (0.44) CNR2CNR1CXCR2KIF11KDM4E
SCHEMBL21597556 0.93 CXCR2 (0.51) CNR2CNR1CXCR2KIF11KDM4E
SCHEMBL21597578 0.89 CNR2 (0.43) CNR2CNR1CXCR2KDM4EHSD17B10
SCHEMBL21597799 0.88 CNR2 (0.44) CNR2CNR1CXCR2KDM4EHSD17B10
SCHEMBL21597436 0.87 CNR2 (0.44) CNR2CNR1CXCR2KDM4EHSD17B10
SCHEMBL21597755 0.85 CNR2 (0.42) CNR2CNR1CXCR2KDM4EHSD17B10
SCHEMBL21597113 0.82 CNR2 (0.50) CNR2CNR1KIF11KDM4EHSD17B10
SCHEMBL21597693 0.82 CNR2 (0.38) CNR2CNR1CXCR2KDM4EHSD17B10
SCHEMBL21597662 0.81 ABCC1 (0.54) CNR2CNR1CXCR2KIF11KDM4E

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-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US claimed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN claimed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO 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 (2 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-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 CNR2 1326/4885CNR1 823/4885CXCR2 1234/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 CNR2 1326/4885CNR1 823/4885CXCR2 1234/4885

“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.