SCHEMBL6580378

SCHEMBL6580378

COC(=O)C(CBr)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
KMT2A Q03164 2/20 0.46
FOLH1 Q04609 1/20 0.46
MMP2 P08253 4/20 0.45
MMP3 P08254 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL1858600 0.91 GRIK1 (0.54) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL28742910 0.90 GRIK1 (0.48) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL1859940 0.88 GRIK1 (0.51) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL7005882 0.85 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL16149007 0.85 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL1857901 0.85 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL9574068 0.85 MMP2 (0.57) MMP2MMP3
SCHEMBL12162457 0.85 MMP2 (0.57) MMP2MMP3
SCHEMBL7899184 0.84 KMT2A (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL1865669 0.83 FAAH (0.48) GRIK1KMT2AFOLH1MMP2MMP3

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 701/4885KMT2A 1581/4885FOLH1 119/4885

“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.