SCHEMBL13312571

SCHEMBL13312571

O=C(O)CCc1ccc(OCc2cccc3c2N(S(=O)(=O)c2ccc4ccccc4c2)CC3)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.45
PTGER3 P43115 1/20 0.43
FFAR1 O14842 5/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MCL1 Q07820 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTGER4 P35408 1/20 0.41
HPGD P15428 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13312546 0.92 PTGER2 (0.48) PTGER2FFAR1FFAR4LMNAMAPT
SCHEMBL13312549 0.91 TUBB4A (0.48) PTGER2FFAR1FFAR4RXRARXRB
SCHEMBL13312556 0.90 PTGER2 (0.48) PTGER2FFAR1FFAR4LMNARXRA
SCHEMBL13312575 0.89 RXRA (0.47) PTGER2FFAR1FFAR4LMNAMAPT
SCHEMBL13312547 0.89 PTGER2 (0.44) PTGER2FFAR1FFAR4MAPTRXRA
SCHEMBL13312548 0.89 FFAR1 (0.47) PTGER2FFAR1FFAR4RXRARXRB
SCHEMBL13312551 0.88 PTGER2 (0.47) PTGER2FFAR1FFAR4LMNAMAPT
SCHEMBL13312552 0.88 PTGER2 (0.49) PTGER2FFAR1FFAR4RXRARXRB
SCHEMBL13312574 0.88 PKM (0.47) PTGER2FFAR1FFAR4LMNAMAPT
SCHEMBL13312550 0.87 RORC (0.46) PTGER2FFAR1FFAR4RXRARXRB

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 PTGER2 3346/4885PTGER3 2442/4885FFAR1 14/4885

“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.