SCHEMBL1797652

SCHEMBL1797652

C[C@H](c1ccccc1)N(Cc1ccccc1-c1ccc(CCO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 8/20 0.38
FFAR4 Q5NUL3 8/20 0.38
PPARA Q07869 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LPAR1 Q92633 1/20 0.36
MLNR O43193 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
SCHEMBL1797650 1.00 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL1797654 0.79 LPAR1 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL1799801 0.76 HDAC3 (0.40) PPARA
SCHEMBL1798511 0.76 MLNR (0.43) LTB4R2LPAR1MLNR
SCHEMBL22327659 0.75 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3LPAR1
SCHEMBL1799804 0.73 HDAC1 (0.45) PPARA
SCHEMBL1801153 0.73 HDAC1 (0.47) PPARA
SCHEMBL20741092 0.72 DAGLA (0.41) PPARA
SCHEMBL20741091 0.72 DAGLA (0.41) PPARA
SCHEMBL1926667 0.72 KMT2A (0.43) PPARASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 PTGER1 204/4885PTGER4 317/4885PTGER3 333/4885

“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.