SCHEMBL2581499

SCHEMBL2581499

CNCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 4/20 0.44
SDCBP O00560 3/20 0.44
SDC2 P34741 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
MBTPS1 Q14703 1/20 0.41
EPHX2 P34913 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL23417788 0.86 MME (0.39) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL20793254 0.83 NPSR1 (0.37) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL2574455 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1FPR2
SCHEMBL19926834 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1FPR2
SCHEMBL19926836 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1FPR2
SCHEMBL7419476 0.80 NPSR1 (0.45) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL28712417 0.80 ALDH1A1 (0.45) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL7419479 0.80 NPSR1 (0.45) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL29459492 0.79 NPSR1 (0.44) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL31240964 0.79 NPSR1 (0.44) NPSR1ALDH1A1SDCBPSDC2SMN1; 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2023-06-08 US disclosed
WO-2020254612-A1 CONTROLLED-RELEASE TYROSINE KINASE INHIBITOR COMPOUNDS WITH LOCALIZED PD PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254613-A1 CONTROLLED-RELEASE TYROSINE KINASE INHIBITOR COMPOUNDS WITH LOCALIZED PK PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254609-A1 TYROSINE KINASE INHIBITOR CONJUGATES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254603-A1 CONJUGATES OF π-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2020-12-24 WO disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
US-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
US-5843946-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-12-01 US disclosed
US-5830897-A AIDS THERAPY G. D. SEARLE & CO. (US) 1998-11-03 US disclosed
US-5786483-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-07-28 US disclosed
US-5744481-A β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP 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-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE CYP3A5, CYP17A1, UGT1A3 NPSR1 3303/4885ALDH1A1 427/4885SDCBP 4514/4885

“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.