SCHEMBL584385

SCHEMBL584385

CCS(=O)(=O)Nc1ccc(NCC2CCC(F)(F)CC2)c(NC(=O)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.48
BRD4 O60885 3/20 0.37
ALDH1A1 P00352 1/20 0.36
ALDH3A1 P30838 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 2/20 0.35
KIF18A Q8NI77 1/20 0.35
RORC P51449 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ANO1 Q5XXA6 1/20 0.34

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
SCHEMBL13804940 0.86 CNR1 (0.42) CNR2CNR1BRD4ALDH1A1ALDH3A1
SCHEMBL584294 0.81 CNR2 (0.48) CNR2CNR1BRD4ALDH1A1ALDH3A1
SCHEMBL585317 0.78 CNR1 (0.45) CNR2CNR1BRD4ALDH1A1ALDH3A1
SCHEMBL13605772 0.76 CNR2 (0.39) CNR2ALDH1A1ALDH3A1TSHRPDK1
SCHEMBL10048290 0.74 MAPK14 (0.39) ALDH1A1RORCLIPCLIPGLMNA
SCHEMBL13605774 0.74 TSHR (0.35) CNR2CNR1ALDH1A1TSHRRORC
SCHEMBL3997149 0.72 ALDH1A1 (0.53) BRD4ALDH1A1ALDH3A1PDK1PDK2
SCHEMBL1608768 0.70 CREBBP (0.44) CNR2CNR1BRD4MAPT
SCHEMBL4003424 0.70 LIPC (0.43) HPGDPDK1PDK2PDK3PDK4
SCHEMBL584850 0.69 PTGER4 (0.46) ALDH1A1RORCLIPCLIPGANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CNR1 54/4885BRD4 3353/4885
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CNR1 54/4885BRD4 3353/4885

“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.