SCHEMBL19582976

SCHEMBL19582976

CC(C)(OC(=O)N1CSC(C)(C)[C@@H]1C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NR1H2 P55055 4/20 0.33
▸ RXRA P19793 3/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ CTSD P07339 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ITGB1 P05556 2/20 0.32
▸ ITGA2 P17301 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL19386039 1.00 USP30 (0.37) USP30CYP1A2ALOX15HRH1SLC22A8
SCHEMBL19386037 1.00 USP30 (0.37) USP30CYP1A2ALOX15HRH1SLC22A8
SCHEMBL19602156 0.92 USP30 (0.36) USP30CYP1A2CYP2C19NR1H2RXRA
SCHEMBL19401801 0.82 MAPK1 (0.42) CTSDALDH1A1
SCHEMBL19385984 0.79 USP30 (0.34) USP30CYP1A2ALOX15HRH1SLC22A8
SCHEMBL19386032 0.79 USP30 (0.34) USP30CYP1A2ALOX15HRH1SLC22A8
SCHEMBL19386033 0.79 USP30 (0.34) USP30CYP1A2ALOX15HRH1SLC22A8
SCHEMBL629002 0.77 HSD17B10 (0.38) NR1H2USP2HSD17B10
SCHEMBL629003 0.77 HSD17B10 (0.38) NR1H2USP2HSD17B10
SCHEMBL7875487 0.77 ALDH1A1 (0.45) USP30ALDH1A1

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
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 — — CN disclosed
US-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2019-09-10 — — US disclosed
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 — — 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 (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-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PSMA7, VIP, ITGB7 USP30 2967/4885CYP1A2 4545/4885ALOX15 4847/4885
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 USP30 2888/4885CYP1A2 4460/4885ALOX15 4877/4885

“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.

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