SCHEMBL21612440

SCHEMBL21612440

O=C(O)/C=C1\CCC/C(=C\O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
F3 P13726 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD11B1 P28845 3/20 0.36
CYP2C9 P11712 1/20 0.36
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA4 P13612 1/20 0.33
F2 P00734 4/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL21612280 1.00 MAPT (0.41) MAPTHTTHPGDF3CYP1A2
SCHEMBL21612276 1.00 MAPT (0.41) MAPTHTTHPGDF3CYP1A2
SCHEMBL21612277 1.00 MAPT (0.41) MAPTHTTHPGDF3CYP1A2
SCHEMBL21614902 0.80 MAPT (0.39) MAPTHTTHPGDF3CYP1A2
SCHEMBL23775136 0.78 MAPT (0.36) MAPTHTTHPGDF3CYP1A2
SCHEMBL4471849 0.76 ALDH1A1 (0.45) MAPTHTTHPGDGAAITGB3
SCHEMBL4471855 0.76 ALDH1A1 (0.45) MAPTHTTHPGDGAAITGB3
SCHEMBL21612612 0.73 HTT (0.38) MAPTHTTHPGDF3CYP1A2
SCHEMBL21612611 0.73 HTT (0.38) MAPTHTTHPGDF3CYP1A2
SCHEMBL6284064 0.71 ALDH1A1 (0.43) MAPTHTTHPGDGAAITGB3

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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO 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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 MAPT 4878/4885HTT 4699/4885HPGD 694/4885

“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.