SCHEMBL6578384

SCHEMBL6578384

COC(=O)C(CCCc1ccccc1)CS(=O)(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
FKBP1A P62942 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL6578656 0.87 MMP2 (0.54) HPGDTSHRALDH1A1MAPTFKBP1A
SCHEMBL6575901 0.85 MMP8 (0.60) HPGDTSHRALDH1A1MAPTFKBP1A
SCHEMBL6575906 0.80 MMP2 (0.47) MMP2MMP9MMP8
SCHEMBL1858600 0.79 GRIK1 (0.54) SMN1; SMN2MMP2
SCHEMBL1859940 0.77 GRIK1 (0.51) TSHRSMN1; SMN2MMP2
SCHEMBL7332863 0.76 HSD17B10 (0.46) HPGDTSHRALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL7338311 0.74 KMT2A (0.55) HPGDTSHRALDH1A1MAPTNPSR1
SCHEMBL7334542 0.74 CYP2D6 (0.56) TSHRALDH1A1KDM4E
SCHEMBL7534733 0.74 MMP2 (0.58) ALDH1A1NPSR1MMP2MMP9MMP8
SCHEMBL1857901 0.74 GRIK1 (0.49) SMN1; SMN2MMP2

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
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
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP 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 HPGD 107/4885TSHR 2905/4885ALDH1A1 408/4885

“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.