SCHEMBL7073595

SCHEMBL7073595

C=C(CCc1ccccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
PTPRA P18433 1/20 0.47
HRH1 P35367 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL10754269 0.92 SMN1; SMN2 (0.67) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
SCHEMBL29499090 0.82 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
SCHEMBL333243 0.82 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
Hydrochloric Acid SCHEMBL28672925 0.80 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
Hydrochloric Acid SCHEMBL4174816 0.80 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
SCHEMBL6446039 0.78 CYP1A2 (0.57) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
Ethylene Glycol SCHEMBL11535314 0.77 SMN1; SMN2 (0.57) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
Ethylene Glycol SCHEMBL11532139 0.77 SMN1; SMN2 (0.57) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
SCHEMBL28456749 0.77 SMN1; SMN2 (0.81) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD
SCHEMBL403460 0.77 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19TDP1HPGD

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 CYP1A2 2103/4885SMN1; SMN2 3038/4885CYP2C19 2083/4885

“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.