SCHEMBL6578058

SCHEMBL6578058

O=C(O)C(CCCc1ccccc1)CSCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
ALDH1A1 P00352 6/20 0.48
POLB P06746 4/20 0.48
TSHR P16473 1/20 0.48
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CPB2 Q96IY4 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL7076099 0.83 GRIK1 (0.59) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL6578386 0.81 GRIK1 (0.59) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL8580215 0.80 TSHR (0.50) ALDH1A1POLBTSHRL3MBTL1NPC1
SCHEMBL7078774 0.79 GRIK1 (0.57) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7079884 0.78 MMP2 (0.51) GRIK1ALDH1A1POLBMMP1MMP2
SCHEMBL7078131 0.77 GRIK1 (0.55) GRIK1ALDH1A1MMP1MMP2MMP3
SCHEMBL1856639 0.75 GRIK1 (0.72) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL2349074 0.74 TSHR (0.52) ALDH1A1POLBTSHRL3MBTL1NPC1
SCHEMBL28694773 0.74 TSHR (0.52) ALDH1A1POLBTSHRL3MBTL1NPC1
SCHEMBL2349071 0.74 TSHR (0.52) ALDH1A1POLBTSHRL3MBTL1NPC1

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 GRIK1 701/4885ALDH1A1 408/4885POLB 1684/4885

“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.