SCHEMBL7079225

SCHEMBL7079225

O=C(O)C(CCCN1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ALPL P05186 1/20 0.35
PKM P14618 1/20 0.35
FGF2 P09038 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL7408859 0.96 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7408862 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7461005 0.83 LCK (0.43) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7460994 0.83 LCK (0.43) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7461000 0.83 LCK (0.43) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7077722 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL18020565 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7461692 0.77 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL30088682 0.77 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7461694 0.77 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HPGDHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 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 (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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ALDH1A1 408/4885SMN1; SMN2 3038/4885HPGD 107/4885

“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.