SCHEMBL7073583

SCHEMBL7073583

COc1ccc(SCC(CCCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.56
MMP9 P14780 6/20 0.56
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.49
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 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
SCHEMBL7077653 0.93 MMP2 (0.60) MMP2MMP9HSD17B10MEN1KMT2A
SCHEMBL7081555 0.84 POLB (0.46) MMP2MMP9MEN1KMT2AALDH1A1
SCHEMBL6575894 0.84 CYP1A2 (0.49) MMP2MMP9MEN1KMT2AALDH1A1
SCHEMBL7077896 0.80 MMP2 (0.60) MMP2MMP9HSD17B10MEN1KMT2A
SCHEMBL7078743 0.79 GRIK1 (0.48) MMP2KMT2AALDH1A1MMP3GAA
SCHEMBL7224275 0.79 MMP2 (0.54) MMP2MMP9MEN1KMT2AMMP3
SCHEMBL8014995 0.79 TP53 (0.46) MMP2MMP9KMT2AALDH1A1POLB
SCHEMBL10641858 0.78 MMP2 (0.58) MMP2MMP9HSD17B10MEN1KMT2A
SCHEMBL9219366 0.78 MMP2 (0.55) MMP2MMP9ALDH1A1MMP3MMP13
SCHEMBL9081746 0.78 CYP1A2 (0.65) HSD17B10MEN1KMT2AALDH1A1GAA

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 3 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

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.