SCHEMBL7077653

SCHEMBL7077653

COc1ccc(SCC(CCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.60
MMP9 P14780 9/20 0.60
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 1/20 0.50
MMP1 P03956 3/20 0.49
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.48
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL7073583 0.93 MMP2 (0.56) MMP2MMP9HSD17B10GAAMEN1
SCHEMBL7224275 0.86 MMP2 (0.54) MMP2MMP9GAAMEN1KMT2A
SCHEMBL7231531 0.82 MMP2 (0.59) MMP2MMP9RAB9AMMP1NPC1
SCHEMBL8014995 0.81 TP53 (0.46) MMP2MMP9KMT2APOLBTDP1
SCHEMBL7231569 0.81 MMP2 (0.53) MMP2MMP9GAAMEN1KMT2A
SCHEMBL7861661 0.81 NPC1 (0.62) MMP2MMP9HSD17B10GAAMEN1
SCHEMBL7077886 0.79 MMP2 (0.66) MMP2MMP9HSD17B10GAAMEN1
SCHEMBL7231210 0.79 MMP2 (0.46) MMP2MMP9GAAMEN1KMT2A
SCHEMBL6380461 0.78 MTNR1A (0.50) KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9113979 0.78 RAB9A (0.69) HSD17B10GAAMEN1KMT2ARAB9A

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 MMP2 2/4885MMP9 3/4885HSD17B10 413/4885

“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.