SCHEMBL6732073

SCHEMBL6732073

COC(=O)C1CCCC1S(=O)(=O)CCCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
LTA4H P09960 4/20 0.43
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MMP2 P08253 1/20 0.38

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) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL6732244 0.86 MMP9 (0.52) RAB9ANPC1PKMEPHX2SMN1; SMN2
SCHEMBL6730574 0.75 RAB9A (0.47) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL5637500 0.69 RAB9A (0.48) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL31630322 0.67 MMP9 (0.76) PKMSMN1; SMN2MMP2MMP9
SCHEMBL31630187 0.65 MMP2 (0.59) KMT2AALDH1A1MMP2MMP9
SCHEMBL17842304 0.65 NPC1 (0.70) RAB9ANPC1LTA4HSMN1; SMN2MAPT
SCHEMBL23366755 0.65 NPC1 (0.56) RAB9ANPC1LTA4HPKMEPHX2
SCHEMBL7245161 0.65 KCNA3 (0.58) LTA4HPKML3MBTL1MEN1KMT2A
SCHEMBL5704316 0.65 KCNA3 (0.58) RAB9ANPC1LTA4HPKMSMN1; SMN2

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 RAB9A 1474/4885NPC1 1544/4885LTA4H 2750/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 RAB9A 1769/4885NPC1 1330/4885LTA4H 2507/4885

“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.