SCHEMBL19602154

SCHEMBL19602154

CC(=O)[C@H]1N(C(=O)OC(C)(C)c2ccc(-c3ccccc3)cc2)C(C)(C)SC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ USP2 O75604 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 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
SCHEMBL19386032 0.92 USP30 (0.34) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19385984 0.92 USP30 (0.34) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19386033 0.92 USP30 (0.34) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19602156 0.80 USP30 (0.36) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19401983 0.75 MAPK1 (0.41) ALDH1A1MAPK1
SCHEMBL19386037 0.74 USP30 (0.37) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19386039 0.74 USP30 (0.37) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL19582976 0.74 USP30 (0.37) USP30CYP2C9USP2ALDH1A1CYP1A2
SCHEMBL4070722 0.70 CYP2C9 (0.48) CYP2C9MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3290659 0.69 CYP2C9 (0.47) CYP2C9MAPTSMN1; SMN2ALDH1A1CYP1A2

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 2888/4885CYP2C9 4631/4885MAPT 751/4885

“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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