SCHEMBL9109767

SCHEMBL9109767

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ MMP3 P08254 2/20 0.38
▸ MMP7 P09237 2/20 0.38
▸ MMP10 P09238 2/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ BACE1 P56817 2/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9109772 1.00 USP30 (0.43) USP30NR1H2MEN1ALDH1A1TSHR
SCHEMBL1052491 0.86 NR1H2 (0.50) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL2930654 0.86 NR1H2 (0.50) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL2930651 0.86 NR1H2 (0.50) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL1053828 0.83 NR1H2 (0.46) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL3369192 0.83 NR1H2 (0.46) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL3369193 0.83 NR1H2 (0.46) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL30835940 0.83 NR1H2 (0.46) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL20670636 0.83 NR1H2 (0.46) NR1H2MEN1ALDH1A1TSHRKMT2A
SCHEMBL2929586 0.83 MEN1 (0.39) USP30NR1H2MEN1ALDH1A1TSHR

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
EP-2435037-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 — — EP disclosed
US-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 — — US disclosed
US-20120142752-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-06-07 — — 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-20120142752-A1 HIV PROTEASE INHIBITORS SERPINB1, PRSS1, SERPINB6 USP30 2503/4885NR1H2 2281/4885MEN1 3342/4885

“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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