SCHEMBL6580386

SCHEMBL6580386

O=C(CCS(=O)(=O)c1ccccc1)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.76
HDAC4 P56524 1/20 0.76
HDAC1 Q13547 1/20 0.76
HDAC7 Q8WUI4 1/20 0.76
HDAC2 Q92769 1/20 0.76
HDAC10 Q969S8 1/20 0.76
HDAC11 Q96DB2 1/20 0.76
HDAC8 Q9BY41 1/20 0.76
HDAC6 Q9UBN7 1/20 0.76
HDAC9 Q9UKV0 1/20 0.76
HDAC5 Q9UQL6 1/20 0.76
MMP1 P03956 8/20 0.74
L3MBTL1 Q9Y468 1/20 0.70
HSD11B1 P28845 2/20 0.61
HTT P42858 1/20 0.60
POLB P06746 3/20 0.59
RAB9A P51151 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59

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
SCHEMBL7324083 0.86 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25209834 0.84 HTT (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10154029 0.84 L3MBTL1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1001018 0.80 HSD11B1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7302796 0.80 MMP1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10584023 0.79 HSD11B1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5602773 0.78 MMP1 (1.00) MMP1L3MBTL1HTTPOLBKMT2A
SCHEMBL6915414 0.77 ALDH1A1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1161573 0.77 HSD11B1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9626048 0.77 HSD11B1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP claimed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO claimed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
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 (2 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 HDAC3 58/4885HDAC4 88/4885HDAC1 49/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC3 157/4885HDAC4 275/4885HDAC1 28/4885

“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.