SCHEMBL13312440

SCHEMBL13312440

O=C(O)CCc1ccc(OCc2cccc3c2N(C(=O)Cc2cccnc2)CC3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ROCK2 O75116 1/20 0.40
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL13312507 0.94 FFAR1 (0.44) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312502 0.87 FFAR1 (0.49) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312496 0.86 PTGER4 (0.61) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312504 0.86 FFAR1 (0.48) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312441 0.85 FFAR1 (0.43) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13709253 0.85 FFAR1 (0.37) FFAR1FFAR4PTGER4PTGER2CYP11B2
SCHEMBL13312499 0.85 FFAR1 (0.46) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312501 0.84 PTGER4 (0.46) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312434 0.84 FFAR1 (0.48) FFAR1FFAR4PTGER4PTGER2RXRA
SCHEMBL13312498 0.83 FFAR1 (0.51) FFAR1FFAR4PTGER4PTGER2RXRA

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 FFAR1 14/4885FFAR4 15/4885PTGER4 1432/4885

“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.