SCHEMBL13312554

SCHEMBL13312554

O=C(O)CCc1ccc(OCc2cccc3c2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.55
PTGER2 P43116 2/20 0.46
S1PR1 P21453 1/20 0.44
PRKX P51817 1/20 0.44
IKBKE Q14164 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTGER4 P35408 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
SCHEMBL13312550 0.93 RORC (0.46) RORCPTGER2S1PR1PRKXIKBKE
SCHEMBL13312546 0.91 PTGER2 (0.48) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312556 0.90 PTGER2 (0.48) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312551 0.88 PTGER2 (0.47) RORCPTGER2FFAR1FFAR4CPT1A
SCHEMBL13312552 0.88 PTGER2 (0.49) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312557 0.88 PTGER2 (0.61) RORCPTGER2FFAR1FFAR4PTGER4
SCHEMBL13312549 0.87 TUBB4A (0.48) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312571 0.87 PTGER2 (0.45) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312575 0.86 RXRA (0.47) RORCPTGER2FFAR1FFAR4RXRA
SCHEMBL13312547 0.86 PTGER2 (0.44) RORCPTGER2FFAR1FFAR4RXRA

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 RORC 451/4885PTGER2 3346/4885S1PR1 3023/4885

“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.