SCHEMBL6351728

SCHEMBL6351728

O=C(OCc1ccccc1)N1CCCCC1OS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.47
PREP P48147 3/20 0.47
FKBP1A P62942 2/20 0.47
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ACE2 Q9BYF1 2/20 0.45
CTRB1 P17538 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL27987768 0.92 GFER (0.48) RAB9ASMN1; SMN2NPC1CYP3A4MAPT
SCHEMBL16105052 0.87 FKBP1A (0.50) RAB9ASMN1; SMN2NPC1CYP3A4MAPT
SCHEMBL30845587 0.83 PREP (0.53) RAB9ASMN1; SMN2NPC1CYP3A4MAPT
SCHEMBL11560321 0.82 FKBP1A (0.57) RAB9ASMN1; SMN2NPC1CYP2C19PREP
SCHEMBL7284521 0.82 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1CYP2C19PREP
SCHEMBL6351725 0.80 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1CYP3A4CYP2C9
SCHEMBL14836799 0.80 CTSK (0.58) RAB9ASMN1; SMN2NPC1CYP2C19PREP
SCHEMBL11489453 0.80 TMEM97 (0.53) RAB9ASMN1; SMN2NPC1TSHRCYP2C19
SCHEMBL4117187 0.80 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1CYP2C19PREP
SCHEMBL7813620 0.79 FKBP1A (0.53) RAB9ASMN1; SMN2NPC1CYP2C19PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 US disclosed
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2004-09-09 US disclosed
US-6734189-B2 TETRAHYDRO-N-CARBOXYALKYLSULFONYLCARBOLINE DERIVATIVES, USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM, ADAM-TS ENZYMES, AND/OR TNF ALPHA -MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2004-05-11 US disclosed
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-05-15 US disclosed
EP-1292576-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-19 EP disclosed
EP-1286994-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-05 EP disclosed
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2003-02-13 US disclosed
US-6506773-B2 For therapy of cancer; inflammation; an autoimmune, infectious or ocular disease; or age-related macular degeneration DARWIN DISCOVERY LTD. (GB) 2003-01-14 US disclosed
US-6469020-B2 AS INHIBITORS OF MATRIX METALLOPROTEINASE, FOR THERAPY OF DISEASES SUCH AS DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY, LTD. (GB) 2002-10-22 US disclosed
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 US disclosed
US-20020013333-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-01-31 US disclosed
WO-2001087844-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO disclosed
WO-2001087883-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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 (5 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-20020013333-A1 Hydroxamic and carboxylic acid derivatives HCAR2, HCAR1, CBR1 RAB9A 1146/4885SMN1; SMN2 2837/4885NPC1 2475/4885
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 RAB9A 3034/4885SMN1; SMN2 2499/4885NPC1 2449/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 RAB9A 3034/4885SMN1; SMN2 2499/4885NPC1 2449/4885
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 RAB9A 2699/4885SMN1; SMN2 4073/4885NPC1 3532/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 RAB9A 1053/4885SMN1; SMN2 4289/4885NPC1 2740/4885

“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.