SCHEMBL29640227

SCHEMBL29640227

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2c(ccc(=O)n2C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSS P25774 2/20 0.35
▸ AAK1 Q2M2I8 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRPF1 P55201 3/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ BRD1 O95696 2/20 0.33
▸ BRD9 Q9H8M2 2/20 0.33
▸ BRPF3 Q9ULD4 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33

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
SCHEMBL20908216 1.00 MMP1 (0.36) MMP1ADAM17ALOX5MEN1KMT2A
SCHEMBL21148935 0.92 MMP1 (0.34) MMP1ADAM17ALOX5MEN1KMT2A
SCHEMBL20907575 0.92 MMP1 (0.34) MMP1ADAM17ALOX5MEN1KMT2A
SCHEMBL21112302 0.89 MEN1 (0.39) MMP1ADAM17ALOX5MEN1KMT2A
SCHEMBL21112298 0.89 MEN1 (0.39) MMP1ADAM17ALOX5MEN1KMT2A
SCHEMBL29640198 0.83 AAK1 (0.34) MEN1KMT2ACTSSAAK1TACR1
SCHEMBL23114826 0.82 TACR1 (0.37) MMP1MEN1KMT2ACTSSAAK1
SCHEMBL20908217 0.82 TACR1 (0.37) MMP1MEN1KMT2ACTSSAAK1
SCHEMBL29640270 0.81 CTSS (0.37) MEN1KMT2ACTSSAAK1TACR1
SCHEMBL20907560 0.81 MEN1 (0.37) MEN1KMT2ACTSSAAK1SMN1; SMN2

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MMP1 87/4885ADAM17 12/4885ALOX5 3256/4885

“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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