SCHEMBL23750127

SCHEMBL23750127

CC(C)C(=O)C[C@H](CN)c1cccc(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 5/20 0.47
▸ GABBR1 Q9UBS5 5/20 0.47
▸ CYP3A4 P08684 3/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MDM2 Q00987 1/20 0.40

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
SCHEMBL23750203 1.00 GABBR2 (0.47) GABBR2GABBR1CYP3A4HDAC4HDAC8
SCHEMBL23750382 0.86 GABBR2 (0.46) GABBR2GABBR1CYP3A4GAALMNA
SCHEMBL23750223 0.86 GABBR2 (0.46) GABBR2GABBR1CYP3A4GAALMNA
SCHEMBL23750204 0.86 GABBR2 (0.49) GABBR2GABBR1CYP3A4HDAC4HDAC8
SCHEMBL23750126 0.86 GABBR2 (0.49) GABBR2GABBR1CYP3A4HDAC4HDAC8
SCHEMBL23750164 0.85 HPGD (0.46) GABBR2GABBR1CYP3A4ALDH1A1HPGD
SCHEMBL23750200 0.85 HPGD (0.46) GABBR2GABBR1CYP3A4ALDH1A1HPGD
SCHEMBL24878666 0.85 GABBR2 (0.45) GABBR2GABBR1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL23750211 0.85 GABBR2 (0.45) GABBR2GABBR1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL23750262 0.84 GABBR2 (0.51) GABBR2GABBR1GAARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012121-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2023-01-12 — — US disclosed
US-20210246169-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2021-08-12 — — 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-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 GABBR2 4122/4885GABBR1 4101/4885CYP3A4 1369/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 GABBR2 4179/4885GABBR1 4092/4885CYP3A4 1405/4885

“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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