SCHEMBL5646989

SCHEMBL5646989

CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1c(C)noc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 4/20 0.32
GAA P10253 3/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 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
SCHEMBL5646996 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4664440 0.99 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4664444 0.99 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL5648917 0.76
SCHEMBL5648912 0.76
SCHEMBL5649767 0.75 GAA (0.32) KMT2AMEN1SMN1; SMN2GAALMNA
Hydrochloric Acid SCHEMBL4665091 0.75
Hydrochloric Acid SCHEMBL4665094 0.75
SCHEMBL5649761 0.75 GAA (0.32) KMT2AMEN1SMN1; SMN2GAALMNA
Hydrochloric Acid SCHEMBL4664994 0.74 GAA (0.32) SMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US claimed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 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 (2 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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 ALDH1A1 311/4885KMT2A 1368/4885MEN1 1651/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 ALDH1A1 597/4885KMT2A 1229/4885MEN1 2126/4885

“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.