SCHEMBL7078804

SCHEMBL7078804

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
TBXAS1 P24557 2/20 0.37
POLB P06746 2/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL10336336 0.93 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL31065453 0.82 FAAH (0.39) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL31065401 0.81 FAAH (0.41) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL501046 0.80 PTGS1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL11117341 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL23618003 0.76 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL6597731 0.76 KMT2A (0.47) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
Ethylene Glycol SCHEMBL5092840 0.76 PTGS1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDHTT
Methacrylic Acid SCHEMBL31065394 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL24287571 0.75 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDHTT

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-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
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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 (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 3038/4885MAPT 3585/4885

“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.