SCHEMBL19602156

SCHEMBL19602156

CC(=O)[C@H]1N(C(=O)OC(C)(C)c2ccc(-c3ccccc3)cc2)CSC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.36
▸ NR1H2 P55055 4/20 0.33
▸ RXRA P19793 3/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ CTSD P07339 1/20 0.32
▸ USP2 O75604 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 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 0.92 USP30 (0.37) USP30NR1H2RXRANR1H3CTSD
SCHEMBL19582976 0.92 USP30 (0.37) USP30NR1H2RXRANR1H3CTSD
SCHEMBL19386037 0.92 USP30 (0.37) USP30NR1H2RXRANR1H3CTSD
SCHEMBL19602154 0.80 USP30 (0.33) USP30NR1H2RXRANR1H3USP2
SCHEMBL19401801 0.75 MAPK1 (0.42) CTSDALDH1A1MAPK1
SCHEMBL7875487 0.74 ALDH1A1 (0.45) USP30ALDH1A1
SCHEMBL19386033 0.74 USP30 (0.34) USP30NR1H2RXRANR1H3USP2
SCHEMBL19385984 0.74 USP30 (0.34) USP30NR1H2RXRANR1H3USP2
SCHEMBL19386032 0.74 USP30 (0.34) USP30NR1H2RXRANR1H3USP2
SCHEMBL29001363 0.70 USP30 (0.33) USP30USP2ALDH1A1CYP1A2HSD17B10

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-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 (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-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 USP30 2888/4885NR1H2 4101/4885RXRA 3380/4885

“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.

Send feedback