SCHEMBL8208322

SCHEMBL8208322

CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
EPHX1 P07099 1/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.55
ACP1 P24666 1/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL8208251 0.87 GAA (0.58) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL8208524 0.86 RAB9A (0.57) ALDH1A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL16356391 0.84 MAPT (0.54) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL8218401 0.84 MAPT (0.53) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL19392315 0.84 MAPT (0.77) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL8215692 0.80 RAB9A (0.55) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL13588600 0.79 GAA (0.57) ALDH1A1TSHRMAPTSMN1; SMN2POLB
SCHEMBL429085 0.79 MAPT (0.75) ALDH1A1L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL1853814 0.77 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2POLBATM
SCHEMBL14385666 0.76 EPHX1 (0.69) ALDH1A1MAPTSMN1; SMN2EPHX1NPC1

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 12 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-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-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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO 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-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
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 ALDH1A1 1502/4885TSHR 4043/4885L3MBTL1 4774/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ALDH1A1 1369/4885TSHR 3764/4885L3MBTL1 4829/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI ALDH1A1 1607/4885TSHR 3893/4885L3MBTL1 4768/4885

“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.