SCHEMBL6865230

SCHEMBL6865230

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
ACACB O00763 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 4/20 0.46
ADAM17 P78536 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
PTGES O14684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16357733 0.90 ACACB (0.44) HPGDACACBTDP1FFAR1ADAM17
SCHEMBL8218633 0.88 PTGES (0.53) ADAM17KMT2AMEN1PTGES
SCHEMBL8417363 0.84 HPGD (0.51) HPGDTDP1ADAM17KMT2AMEN1
SCHEMBL8212396 0.75 RAB9A (0.49) HPGDADAM17KMT2AMEN1NPC1
SCHEMBL8418295 0.75 AOC3 (0.60) HPGDADAM17KMT2AMEN1PTGES
SCHEMBL8216640 0.72 NPSR1 (0.43) HPGDACACBFFAR1KMT2AMEN1
SCHEMBL16357691 0.71 NPSR1 (0.39) FFAR1FFAR4NPC1RAB9ANPSR1
SCHEMBL5769172 0.70 NPSR1 (0.64) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL8212712 0.69 ALDH1A1 (0.50) HPGDADAM17KMT2AMEN1NPC1
SCHEMBL8216582 0.69 PTPN11 (0.55) KMT2AMEN1NPSR1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
WO-2011005355-A1 COMBINATIONS COMPRISING A LPXC INHIBITOR AND AN ANTIBIOTIC FOR USE IN THE TREATMENT OF INFECTIONS CAUSED BY GRAM-NEGATIVE BACTERIA ACHAOGEN, INC. (US) 2011-01-13 WO disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (4 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 HPGD 711/4885ACACB 322/4885TDP1 1915/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF HPGD 493/4885ACACB 400/4885TDP1 2068/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI HPGD 766/4885ACACB 360/4885TDP1 1840/4885
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS LPXN, LCT, LPO HPGD 1016/4885ACACB 996/4885TDP1 4340/4885

“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.