SCHEMBL21597573

SCHEMBL21597573

CC(C)(C)OC(=O)C1CCCC(=O)C1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL31316625 1.00 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL16286714 0.81 MAPK1 (0.40) MAPK1HRH3
SCHEMBL3780480 0.76 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3THRB
SCHEMBL1296115 0.74 EPHX1 (0.41) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL25453169 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL2502211 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL30364247 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL27551188 0.74 EPHX1 (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL13624568 0.74 NFKB1 (0.42) EPHX1F2F10PRSS1
Hydrochloric Acid SCHEMBL27551210 0.73 EPHX1 (0.38) MAPK1CHRM2CHRM1CHRM3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879800-A Synthesis method of (R) -3-tert-butoxycarbonyl amino cyclohexanone 苏州弗莱明生物技术有限公司 2024-11-01 CN disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP 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 (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 MAPK1 494/4885CHRM2 3252/4885CHRM1 2869/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 MAPK1 494/4885CHRM2 3252/4885CHRM1 2869/4885

“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.