SCHEMBL3833009

SCHEMBL3833009

COc1ccc(NC(=O)CC2CO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
MIF P14174 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 3/20 0.54
FUCA1 P04066 1/20 0.53
MAP2K1 Q02750 1/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52

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
SCHEMBL9313874 0.78 L3MBTL1 (0.76) L3MBTL1ALDH1A1HTTMAPTRAB9A
SCHEMBL12931990 0.78 EPHX2 (1.00) EPHX2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL15922601 0.76 HPGD (0.71) EPHX2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL15922602 0.76 HPGD (0.71) EPHX2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL10882913 0.76 NPC1 (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2954416 0.75 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTMAPTRAB9A
SCHEMBL2089592 0.75 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTMAPTRAB9A
SCHEMBL2089593 0.75 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTMAPTRAB9A
SCHEMBL17737372 0.74 EPHX2 (0.73) EPHX2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL20838672 0.74 EPHX2 (0.73) EPHX2L3MBTL1ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578737-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC (US) 2009-09-16 EP disclosed
EP-1578737-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC (US) 2009-09-16 EP disclosed
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 EP disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 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 (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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A EPHX2 3983/4885MIF 3534/4885L3MBTL1 970/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A EPHX2 3391/4885MIF 4160/4885L3MBTL1 1085/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A EPHX2 3391/4885MIF 4160/4885L3MBTL1 1085/4885

“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.