SCHEMBL6026558

SCHEMBL6026558

CCC(C)[C@@H](NC(C)=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FPR2 P25090 3/20 0.49
ATM Q13315 1/20 0.49
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
ENPEP Q07075 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL359065 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL428458 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL359064 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL7775372 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL6026559 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL9502850 1.00 ALDH1A1 (0.66) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL15692297 0.92 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL9073718 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL9073717 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL10866724 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1KMT2AMEN1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 EP claimed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 US claimed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 US claimed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 WO claimed
CN-119662448-A Lactobacillus mucilaginosus and application thereof in fermentation of wall-broken ganoderma lucidum spore powder 四川大学 2025-03-21 CN disclosed
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 EP disclosed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 US disclosed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 US disclosed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 WO disclosed
EP-0937705-B1 Process for preparing D-alloisoleucine and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 2003-05-07 EP disclosed
US-6310242-B1 Process for preparing D-alloisoleucine and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-10-30 US disclosed
EP-0937705-A2 Process for preparing D-alloisoleucine and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-08-25 EP disclosed
US-4677125-A HYPOTENSIVE AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1987-06-30 US disclosed
EP-0103867-B1 PHOSPHORUS-CONTAINING PEPTIDE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-12-17 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-20050107453-A1 Resolution of 3-amino alkylnitriles AADAT, AANAT, AAAS ALDH1A1 1229/4885L3MBTL1 2374/4885KMT2A 3208/4885

“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.