SCHEMBL8216640

SCHEMBL8216640

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N(C)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 9/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL16357691 0.84 NPSR1 (0.39) NPSR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8212712 0.77 ALDH1A1 (0.50) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL29249809 0.74 NPC1 (0.43) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL29868625 0.74 NPC1 (0.43) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL8414552 0.74 KMT2A (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8212396 0.72 RAB9A (0.49) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6865230 0.72 HPGD (0.48) NPSR1NPC1RAB9AMEN1HPGD
SCHEMBL27794102 0.71 ALDH1A1 (0.50) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL28621334 0.71 NPSR1 (0.42) NPSR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL8216582 0.69 PTPN11 (0.55) NPSR1MEN1KMT2ALMNAPTPN1

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-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
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 (3 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 NPSR1 1217/4885NPC1 481/4885RAB9A 1661/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NPSR1 934/4885NPC1 477/4885RAB9A 2283/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI NPSR1 1408/4885NPC1 415/4885RAB9A 922/4885

“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.