SCHEMBL6467679

SCHEMBL6467679

Cc1c([C@](C)(C(=O)O)C(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
PTGS2 P35354 6/20 0.32
PTGS1 P23219 2/20 0.32
SRC P12931 3/20 0.32
PRKACA P17612 2/20 0.32
PRKACG P22612 2/20 0.32
PRKACB P22694 2/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
ABCB1 P08183 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL6425727 0.94 RORC (0.34) RORCAKR1C3AKR1C2SLC22A12PTGS2
SCHEMBL6425810 0.91 CHRNA1 (0.36) RORCAKR1C3AKR1C2SLC22A12PTGS2
SCHEMBL6425407 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL6465413 0.89 PTGS2 (0.45) RORCAKR1C3AKR1C2SLC22A12PTGS2
SCHEMBL6454523 0.88 RORC (0.40) RORCAKR1C3AKR1C2SLC22A12PTGS2
SCHEMBL6424899 0.88 SRC (0.36) RORCAKR1C3AKR1C2SRC
SCHEMBL6451442 0.86 RORC (0.37) RORCAKR1C3AKR1C2SLC22A12PTGS2
SCHEMBL6455431 0.86 RORC (0.35) RORCAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6424586 0.85 AKR1C3 (0.39) AKR1C3AKR1C2SLC22A12SRC
SCHEMBL6424397 0.85 AKR1C3 (0.34) RORCAKR1C3AKR1C2SLC22A12PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 RORC 3642/4885AKR1C3 577/4885AKR1C2 563/4885

“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.