SCHEMBL3556829

SCHEMBL3556829

CC(C)(C)[C@H](NC(=O)O)C(=O)NN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.37
PDF Q9HBH1 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
MMP3 P08254 11/20 0.34
MMP2 P08253 11/20 0.34
MMP1 P03956 10/20 0.34
MMP7 P09237 3/20 0.34
MMP9 P14780 6/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 3/20 0.33
DPP4 P27487 1/20 0.32
CTSD P07339 1/20 0.32
MMP14 P50281 2/20 0.32
ADAM17 P78536 2/20 0.32
MMP20 O60882 1/20 0.32
ADAMTS4 O75173 1/20 0.32
TNF P01375 1/20 0.32
MMP10 P09238 1/20 0.32
MMP12 P39900 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
SCHEMBL4676064 1.00 HIF1A (0.37) HIF1APDFCA2CA1MMP3
Hydrochloric Acid SCHEMBL20491962 0.80 HIF1A (0.32) HIF1ACA2CA1
Hydrochloric Acid SCHEMBL20491965 0.80 HIF1A (0.32) HIF1ACA2CA1
SCHEMBL20721129 0.80 MMP3 (0.49) MMP3MMP2MMP1MMP7MMP9
SCHEMBL8690110 0.80 MMP3 (0.35) PDFMMP3MMP2MMP1MMP7
SCHEMBL20721130 0.80 MMP3 (0.49) MMP3MMP2MMP1MMP7MMP9
SCHEMBL1706304 0.79 HIF1A (0.34) HIF1APDFCA2CA1MMP3
SCHEMBL4300898 0.78 MMP3 (0.37) MMP3MMP2MMP1MMP7MMP9
Hydrochloric Acid SCHEMBL2286815 0.78 HIF1A (0.33) HIF1APDFCA2CA1MMP3
SCHEMBL21543027 0.77 CNR2 (0.36) PDFCA2MMP9CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 EP disclosed
US-11078208-B1 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 US disclosed
US-10294234-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-05-21 US disclosed
US-20180258097-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-09-13 US disclosed
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (7 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-20230027055-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 HIF1A 1070/4885PDF 3663/4885CA2 2712/4885
US-20180258097-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 HIF1A 1070/4885PDF 3663/4885CA2 2712/4885
US-11078208-B1 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 HIF1A 1070/4885PDF 3663/4885CA2 2712/4885
US-10752636-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 HIF1A 1070/4885PDF 3663/4885CA2 2712/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HIF1A 3923/4885PDF 1754/4885CA2 3870/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 HIF1A 419/4885PDF 4173/4885CA2 2320/4885
US-10294234-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 HIF1A 1070/4885PDF 3663/4885CA2 2712/4885

“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.