SCHEMBL21603891

SCHEMBL21603891

CC1CCCc2sc(NC(=O)C3CC3)c(C(=O)O)c21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
CXCR2 P25025 10/20 0.63
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FLT3 P36888 1/20 0.52
CXCR4 P61073 4/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
KIF11 P52732 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43

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
Water SCHEMBL21597829 0.96 ABCC1 (0.60) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL21597662 0.92 ABCC1 (0.54) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL3913969 0.88 FLT3 (0.64) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL21260646 0.83 ABCC1 (0.62) ABCC1ABCG2CXCR2CXCR4PDE4B
SCHEMBL3923739 0.83 CXCR2 (0.70) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL21597556 0.82 CXCR2 (0.51) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL4135256 0.82 ABCC1 (0.61) ABCC1ABCG2CXCR2MAPTCXCR4
SCHEMBL21597110 0.82 KDM4E (0.47) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL21603682 0.81 CNR2 (0.51) ABCC1ABCG2CXCR2KDM4EMAPT
SCHEMBL21247237 0.80 CXCR2 (0.71) ABCC1ABCG2CXCR2KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
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 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 (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-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 ABCC1 44/4885ABCG2 403/4885CXCR2 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.