SCHEMBL6350413

SCHEMBL6350413

C=C(C(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.75
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
CYP2C19 P33261 1/20 0.71
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ENPP2 Q13822 1/20 0.55
GRIN2B Q13224 9/20 0.54
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP3A4 P08684 3/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL2354166 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL205216 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2848087 0.85 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL3097843 0.85 SMN1; SMN2 (0.97) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL895480 0.84 SMN1; SMN2 (0.89) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31170269 0.84 SMN1; SMN2 (0.89) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2712105 0.83 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL188053 0.83 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1939902 0.83 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL5629949 0.83 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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 11 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-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-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 SMN1; SMN2 2837/4885NPC1 2475/4885RAB9A 1146/4885
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 SMN1; SMN2 2499/4885NPC1 2449/4885RAB9A 3034/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 SMN1; SMN2 2499/4885NPC1 2449/4885RAB9A 3034/4885
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 SMN1; SMN2 4073/4885NPC1 3532/4885RAB9A 2699/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 SMN1; SMN2 4289/4885NPC1 2740/4885RAB9A 1053/4885

“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.