SCHEMBL6344755

SCHEMBL6344755

CC(C)C(CS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(=O)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
KMT2A Q03164 3/20 0.66
GRM5 P41594 10/20 0.44
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6347268 0.91 NPC1 (0.71) NPC1RAB9AKMT2AGRM5ALDH1A1
SCHEMBL6787466 0.76 DRD2 (0.37) NPC1RAB9AKMT2AGRM5ALDH1A1
SCHEMBL6787463 0.76 DRD2 (0.37) NPC1RAB9AKMT2AGRM5ALDH1A1
SCHEMBL6408122 0.75 MMP2 (0.42) NPC1RAB9AHDAC6
SCHEMBL6783193 0.69 HDAC6 (0.53) HDAC3HDAC1HDAC6KDM4EMAPT
SCHEMBL6783587 0.69 HDAC1 (0.44) KMT2AALDH1A1HDAC3HDAC1HDAC6
SCHEMBL23657847 0.68 NPC1 (1.00) NPC1RAB9AKMT2AGRM5PDCD1
SCHEMBL6787801 0.67 DRD2 (0.39) NPC1RAB9AKMT2AALDH1A1POLB
Hydrogen Peroxide SCHEMBL7101042 0.67 DRD2 (0.39) NPC1RAB9AKMT2AALDH1A1POLB
Hydrogen Peroxide SCHEMBL7101046 0.67 DRD2 (0.39) NPC1RAB9AKMT2AALDH1A1POLB

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 claimed
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-05-15 US claimed
EP-1292576-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-19 EP claimed
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 US claimed
WO-2001087844-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO claimed
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 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
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-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 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

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-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 NPC1 3532/4885RAB9A 2699/4885KMT2A 2301/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 NPC1 2740/4885RAB9A 1053/4885KMT2A 2371/4885

“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.