SCHEMBL7083877

SCHEMBL7083877

COc1ccc(S(=O)(=O)CC(CCCc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.57
MMP3 P08254 11/20 0.57
MMP1 P03956 11/20 0.57
PDE4A P27815 7/20 0.57
PDE4B Q07343 7/20 0.57
PDE4C Q08493 7/20 0.57
PDE4D Q08499 7/20 0.57
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MMP9 P14780 5/20 0.49
MMP8 P22894 4/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
TBXAS1 P24557 1/20 0.48
BMP1 P13497 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7077710 0.83 MMP2 (0.70) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7534733 0.81 MMP2 (0.58) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7431052 0.81 MMP2 (0.58) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL11232617 0.81 CALM1 (0.51) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7432957 0.81 MMP2 (0.53) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7422537 0.80 MMP2 (0.56) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7482893 0.79 ALDH1A1 (0.53) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7073638 0.78 MMP1 (0.47) MMP2MMP3MMP1PDE4APDE4B
Acetic Acid SCHEMBL10581041 0.77 HTT (0.60) MMP2MMP3MMP1PDE4APDE4B
SCHEMBL7423442 0.77 MMP1 (0.53) MMP2MMP3MMP1PDE4APDE4B

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 MMP2 2/4885MMP3 5/4885MMP1 16/4885

“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.