SCHEMBL6732244

SCHEMBL6732244

O=C(NO)C1CCCC1S(=O)(=O)CCCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.52
MMP2 P08253 7/20 0.52
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ADAM17 P78536 2/20 0.40
MMP13 P45452 3/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP1 P03956 2/20 0.39

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
SCHEMBL6731740 0.88 RAB9A (0.41) NPC1PKMEPHX2RAB9ASMN1; SMN2
SCHEMBL6732073 0.86 RAB9A (0.46) MMP9MMP2NPC1PKMEPHX2
SCHEMBL6266744 0.78 MMP8 (0.54) MMP9MMP2MMP13MMP8MMP12
SCHEMBL6266747 0.78 MMP8 (0.54) MMP9MMP2MMP13MMP8MMP12
SCHEMBL6802716 0.74 MMP13 (0.57) MMP9MMP2RAB9AMMP13MMP8
SCHEMBL6271220 0.74 MMP13 (0.57) MMP9MMP2RAB9AMMP13MMP8
SCHEMBL8524291 0.71 MMP9 (0.68) MMP9MMP2RAB9AADAM17MMP13
SCHEMBL6341761 0.69 TEAD1 (0.57) MMP9MMP2NPC1RAB9AADAM17
SCHEMBL6341760 0.69 TEAD1 (0.57) MMP9MMP2NPC1RAB9AADAM17
SCHEMBL6341764 0.69 TEAD1 (0.57) MMP9MMP2NPC1RAB9AADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US claimed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 US claimed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 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 (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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 MMP9 631/4885MMP2 1221/4885NPC1 1544/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 MMP9 833/4885MMP2 1582/4885NPC1 1330/4885

“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.