SCHEMBL7234745

SCHEMBL7234745

O=C(O)C(=O)N(Cc1ccccc1)Cc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.64
AKR1B1 P15121 1/20 0.64
CYSLTR1 Q9Y271 8/20 0.64
CYSLTR2 Q9NS75 7/20 0.64
GPBAR1 Q8TDU6 1/20 0.62
ALOX5 P09917 4/20 0.61
PDE10A Q9Y233 2/20 0.59

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
SCHEMBL7238579 0.93 FFAR1 (0.65) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL7234584 0.81 CYSLTR1 (0.60) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL1419872 0.80 FFAR1 (0.77) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL10446852 0.80 CYSLTR1 (0.75) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL10446560 0.80 CYSLTR1 (0.79) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL10544473 0.78 CYSLTR1 (0.84) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL7718896 0.78 GPBAR1 (0.90) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL7457682 0.78 GPBAR1 (0.90) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088569 0.78 FFAR1 (0.73) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL9045246 0.78 GPBAR1 (0.80) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035136-A1 Amino(oxo) acetic acid protein tyrosine phosphatase inhibitors ABBVIE INC. 2002-03-21 US claimed
WO-2002018321-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO claimed
US-6627767-B2 Controlling cellular metabolism ABBOTT LABORATORIES 2003-09-30 US disclosed
US-20020035136-A1 Amino(oxo) acetic acid protein tyrosine phosphatase inhibitors ABBVIE INC. 2002-03-21 US disclosed
WO-2002018321-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035136-A1 Amino(oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPM1G FFAR1 481/4885AKR1B1 516/4885CYSLTR1 4092/4885

“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.