Sugi Predict

Sugi Predict / Compounds / SCHEMBL2847124

SCHEMBL2847124

SCHEMBL2847124

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ HSD11B1 P28845 1/20 0.42
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ASGR1 P07306 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.31
▸ BUB1 O43683 1/20 0.31
▸ USP30 Q70CQ3 2/20 0.31
▸ ACE P12821 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL181714 1.00 BTK (0.44) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL16513085 1.00 BTK (0.44) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL1663087 1.00 BTK (0.44) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL23716710 0.92 BTK (0.54) BTKHSD11B1KMT2AHSD17B10ASGR1
SCHEMBL27033054 0.92 BTK (0.54) BTKHSD11B1KMT2AHSD17B10ASGR1
SCHEMBL1299115 0.90 HSD11B1 (0.41) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL1344888 0.90 HSD11B1 (0.41) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL1299111 0.90 HSD11B1 (0.41) BTKHSD11B1KMT2AHSD17B10PTPN1
SCHEMBL25250119 0.88 HSD11B1 (0.42) BTKHSD11B1KMT2AHSD17B10ASGR1
SCHEMBL25294971 0.88 HSD11B1 (0.42) BTKHSD11B1KMT2AHSD17B10ASGR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 — — US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — 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 (3 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 BTK 4293/4885HSD11B1 426/4885KMT2A 4668/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 BTK 4711/4885HSD11B1 314/4885KMT2A 4507/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP BTK 4747/4885HSD11B1 683/4885KMT2A 4271/4885

“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.