SCHEMBL8215692

SCHEMBL8215692

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.47
ACP1 P24666 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL8212458 0.87 EP300 (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8208322 0.80 ALDH1A1 (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23000084 0.76 NPC1 (0.77) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8218401 0.76 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8208251 0.76 GAA (0.58) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5904008 0.76 MAPT (0.75) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8418452 0.75 ALDH1A1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8218258 0.75 GCGR (0.45) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL8208685 0.73 SPHK1 (0.46) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL19392315 0.73 MAPT (0.77) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 10 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
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 RAB9A 1661/4885NPC1 481/4885MAPT 739/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF RAB9A 2283/4885NPC1 477/4885MAPT 874/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI RAB9A 922/4885NPC1 415/4885MAPT 804/4885

“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.