SCHEMBL325216

SCHEMBL325216

CC(C)N1CCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CTSK P43235 2/20 0.44
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SCN9A Q15858 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL10264443 1.00 GAA (0.46) GAACTSKNFKB1NFKB2RELA
SCHEMBL318194 0.92 F2 (0.46) GAACTSKNFKB1NFKB2RELA
SCHEMBL318196 0.92 F2 (0.46) GAACTSKNFKB1NFKB2RELA
SCHEMBL6802644 0.88 GAA (0.43) GAACTSKNFKB1NFKB2RELA
SCHEMBL6800613 0.88 GAA (0.43) GAACTSKNFKB1NFKB2RELA
SCHEMBL6800616 0.88 GAA (0.43) GAACTSKNFKB1NFKB2RELA
SCHEMBL6564073 0.87 GAA (0.42) GAACTSKNFKB1NFKB2RELA
SCHEMBL23297866 0.85 GAA (0.41) GAACTSKNFKB1NFKB2RELA
SCHEMBL14265328 0.85 GAA (0.41) GAACTSKNFKB1NFKB2RELA
SCHEMBL15113466 0.85 GAA (0.41) GAACTSKNFKB1NFKB2RELA

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-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
US-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-10-31 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
WO-2017075056-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-04 WO disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 WO 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 (4 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-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF EGLN3, EGLN2, EGLN1 GAA 1250/4885CTSK 2996/4885NFKB1 777/4885
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GAA 147/4885CTSK 1047/4885NFKB1 3263/4885
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 GAA 1250/4885CTSK 2996/4885NFKB1 777/4885
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GAA 147/4885CTSK 1047/4885NFKB1 3263/4885

“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.