SCHEMBL3387228

SCHEMBL3387228

CCOc1ccccc1C(=O)Nc1nc(C(F)(F)F)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
ALOX15 P16050 1/20 0.61
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.51
MAPT P10636 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL742795 0.85 MEN1 (0.54) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL13055732 0.81 MEN1 (0.47) MAPK1MEN1KMT2AGAALMNA
SCHEMBL24770658 0.81 MAPK1 (0.62) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL741587 0.79 NPC1 (0.76) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL16363830 0.76 MAPK1 (1.00) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL13902006 0.76 L3MBTL1 (0.60) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL13055738 0.75 NPC1 (0.47) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL1968036 0.75 NPC1 (0.62) ALOX15MEN1KMT2AALDH1A1LMNA
SCHEMBL16363833 0.75 MAPK1 (0.67) MAPK1ALOX15MEN1KMT2AGAA
SCHEMBL15541229 0.74 SMN1; SMN2 (0.64) MAPK1MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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 (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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MAPK1 1779/4885ALOX15 1727/4885MEN1 1534/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MAPK1 1506/4885ALOX15 1594/4885MEN1 1218/4885

“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.