SCHEMBL7077872

SCHEMBL7077872

O=C(O)C(CCCc1ccccc1)CSc1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.52
PRNP P04156 5/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 4/20 0.50
MAPK10 P53779 2/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.47
GRIK1 P39086 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL7050067 0.83 RXFP1 (0.45) RXFP1PRNPKDM4ENPSR1MAPK10
SCHEMBL7080529 0.77 GRIK1 (0.57) RAB9AGRIK1KMT2AMEN1SMN1; SMN2
SCHEMBL7048091 0.76 RXFP1 (0.47) RXFP1PRNPKDM4ENPSR1MAPK10
SCHEMBL7050068 0.76 RXFP1 (0.44) RXFP1PRNPKDM4ENPSR1MAPK10
SCHEMBL7073227 0.76 GRIK1 (0.52) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7215847 0.75 MMP2 (0.56) RAB9AGRIK1CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL7080810 0.74 GRIK1 (0.51) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7046328 0.74 PRNP (0.47) RXFP1PRNPKDM4ENPSR1MAPK10
SCHEMBL1856639 0.73 GRIK1 (0.72) RXFP1RAB9AGRIK1SMN1; SMN2NPC1
SCHEMBL7073421 0.73 ALDH1A1 (0.53) KDM4ENPSR1ALDH1A1GRIK1KMT2A

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 6 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
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN 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 RXFP1 2381/4885PRNP 3124/4885KDM4E 1809/4885

“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.