SCHEMBL3942676

SCHEMBL3942676

CCOC(=O)CC1[N]CCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2247789 0.75
SCHEMBL932446 0.73 POLB (0.53) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL643035 0.72 GLA (0.62) POLBKMT2AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL28352217 0.72 POLB (0.52) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL7498041 0.72 GLA (0.62) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL29068053 0.71 POLB (0.54) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL12569137 0.70 TSHR (0.68) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL28846755 0.70 POLB (0.47) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL12641073 0.70 POLB (0.53) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL717062 0.69 MGAM (0.35) POLBKMT2AALDH1A1MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-31 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US disclosed
EP-1144384-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043369-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 POLB 3968/4885KMT2A 1871/4885ALDH1A1 322/4885
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 POLB 3968/4885KMT2A 1871/4885ALDH1A1 322/4885

“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.