SCHEMBL6578378

SCHEMBL6578378

COC(=O)C(CCCc1ccccc1)CSC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ABCC3 O15438 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
NR3C1 P04150 1/20 0.49
RARG P13631 1/20 0.49
CNR1 P21554 1/20 0.49
OPRK1 P41145 1/20 0.49
NR1H2 P55055 1/20 0.49
PPARA Q07869 1/20 0.49
NR1H3 Q13133 1/20 0.49
NR1I3 Q14994 1/20 0.49
MME P08473 2/20 0.46
GRIK1 P39086 1/20 0.45
FOLH1 Q04609 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL7429430 0.86 GRIK1 (0.56) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1858600 0.85 GRIK1 (0.54) CYP2D6CYP2C9CYP2C19GRIK1FOLH1
SCHEMBL4177084 0.83 CYP1A2 (0.63) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1859940 0.83 GRIK1 (0.51) CYP2D6CYP2C9CYP2C19GRIK1FOLH1
SCHEMBL8167065 0.82 CPB2 (0.57) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL8168663 0.81 CPB2 (0.60) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7005882 0.80 GRIK1 (0.49) CYP2D6CYP2C9CYP2C19GRIK1FOLH1
SCHEMBL1857901 0.80 GRIK1 (0.49) GRIK1FOLH1KMT2AMMP2MMP3
SCHEMBL16149007 0.80 GRIK1 (0.49) CYP2D6CYP2C9CYP2C19GRIK1FOLH1
SCHEMBL9574068 0.80 MMP2 (0.57) MMP2MMP3

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 CYP2D6 3109/4885CYP2C9 1856/4885CYP2C19 2083/4885

“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.