SCHEMBL3184433

SCHEMBL3184433

CCCCc1c(I)c[nH]c(=O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HCAR2 Q8TDS4 3/20 0.37
SLC37A4 O43826 1/20 0.36
GRM5 P41594 1/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 1/20 0.35
NOTUM Q6P988 1/20 0.35
HCAR3 P49019 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
TYMP P19971 1/20 0.34
APLNR P35414 1/20 0.34
BID P55957 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BAK1 Q16611 1/20 0.33
DPYD Q12882 1/20 0.33

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
SCHEMBL11114754 0.70 FFAR1 (0.44) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL14989307 0.70 FFAR1 (0.44) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL9420032 0.70 GABRP (0.41) HCAR2SLC37A4HCAR3HPGDRARB
SCHEMBL9562908 0.69 NOTUM (0.53) KDM4EPKMHCAR2NOTUMHCAR3
SCHEMBL17675169 0.69 ALDH1A1 (0.40) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL28473054 0.68 FFAR1 (0.43) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL9717839 0.67 LMNA (0.37) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL29601412 0.67 FFAR1 (0.42) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL14989169 0.67 FFAR1 (0.42) KDM4EPKMHCAR2SLC37A4HCAR3
SCHEMBL29171675 0.67 FFAR1 (0.42) KDM4EPKMHCAR2SLC37A4HCAR3

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
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
CN-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 CN disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 CN disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R KDM4E 1679/4885PKM 4017/4885HCAR2 72/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R KDM4E 1228/4885PKM 3392/4885HCAR2 47/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R KDM4E 590/4885PKM 3699/4885HCAR2 275/4885

“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.