SCHEMBL6578347

SCHEMBL6578347

O=C(OCc1ccccc1)C(CCCN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP3 P42574 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.46
MAOB P27338 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
SCHEMBL7215474 0.92 CASP3 (0.50) TDP1L3MBTL1MAPK1SMN1; SMN2CASP3
SCHEMBL408911 0.87 TDP1 (0.49) TDP1L3MBTL1MAPK1SMN1; SMN2CASP3
SCHEMBL8014547 0.84 ALDH1A1 (0.48) TDP1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL7370340 0.82 HSD17B10 (0.51) SMN1; SMN2HDAC1HDAC7ALDH1A1
SCHEMBL11095028 0.81 RAB9A (0.49) TDP1L3MBTL1MAPK1SMN1; SMN2CASP3
SCHEMBL18945033 0.81 PLA2G1B (0.49) SMN1; SMN2MAPTRAB9AHDAC1HDAC7
SCHEMBL8888720 0.81 TDP1 (0.51) TDP1SMN1; SMN2MAPTRAB9AHDAC1
SCHEMBL8968592 0.80 CYP3A4 (0.53) RAB9A
SCHEMBL2004222 0.80 CYP3A4 (0.53) RAB9A
SCHEMBL8574998 0.80 MAPK1 (0.56) L3MBTL1MAPK1SMN1; SMN2CASP3MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
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 TDP1 2654/4885L3MBTL1 3771/4885MAPK1 1100/4885

“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.