SCHEMBL7234584

SCHEMBL7234584

O=C(O)C(=O)N(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.60
CYSLTR2 Q9NS75 3/20 0.60
ALOX5 P09917 14/20 0.58
HDAC6 Q9UBN7 1/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.54

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
SCHEMBL8965014 0.83 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL7234745 0.81 FFAR1 (0.64) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9584140 0.78 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL7238579 0.78 FFAR1 (0.65) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL2108349 0.76 ALOX5 (0.61) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
Bicarbonate SCHEMBL9374712 0.76 CYSLTR1 (0.72) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL9135133 0.75 GPBAR1 (0.66) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL9474669 0.75 ALOX5 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL9137854 0.75 GPBAR1 (0.66) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL8965425 0.74 CYSLTR1 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1

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 CYSLTR1 4092/4885CYSLTR2 4645/4885ALOX5 2810/4885

“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.