SCHEMBL5630237

SCHEMBL5630237

O=C(CN(CCc1ccc(OCCCCc2ccccc2)cc1)Cc1ccccc1)c1cccc2c1sc(=O)n2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
BCHE P06276 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARD Q03181 1/20 0.36
PLA2G4B P0C869 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL3836095 0.77 ADRB2 (0.43) FFAR1
SCHEMBL3839010 0.76 FFAR1 (0.63) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL6104143 0.72 LTB4R (0.57) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL3837954 0.70 FFAR1 (0.51) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL3838043 0.70 LTB4R (0.54) FFAR1LTB4RLTB4R2S1PR1S1PR3
SCHEMBL3838340 0.69 LTB4R (0.36) FFAR1LTB4RLTB4R2S1PR1ALDH1A1
SCHEMBL6185317 0.64 BCHE (0.45) FFAR1LTB4RLTB4R2S1PR1BCHE
SCHEMBL1746597 0.61 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4952105 0.61 PLA2G4B (0.56) FFAR1S1PR1S1PR3S1PR5BCHE
SCHEMBL949517 0.61 LTA4H (0.77) FFAR1LTB4RLTB4R2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 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 (1 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C FFAR1 183/4885LTB4R 260/4885LTB4R2 96/4885

“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.