SCHEMBL6423719

SCHEMBL6423719

CC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NOTUM Q6P988 1/20 0.31
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PPARG P37231 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL6453108 0.94 AKR1C3 (0.34) AKR1C3AKR1C2KMT2APTGS1PTGS2
SCHEMBL6424231 0.93 TSHR (0.34) AKR1C3AKR1C2TSHRKMT2APTGS1
SCHEMBL6426836 0.91 TSHR (0.37) AKR1C3AKR1C2TSHRKMT2APTGS1
SCHEMBL6428276 0.90 AKR1C3 (0.35) AKR1C3AKR1C2KMT2APTGS1PTGS2
SCHEMBL6423506 0.90 AKR1C3 (0.43) AKR1C3AKR1C2KMT2APTGS1PTGS2
SCHEMBL6425861 0.89 ABCB11 (0.36) AKR1C3AKR1C2TSHRKMT2APTGS1
SCHEMBL6422809 0.88 HPGD (0.34) AKR1C3AKR1C2TSHRKMT2APTGS1
SCHEMBL6423401 0.88 ALDH1A1 (0.37) AKR1C3AKR1C2KMT2APTGS1PTGS2
SCHEMBL6465125 0.88 AKR1C3 (0.33) AKR1C3AKR1C2TSHRKMT2APTGS1
SCHEMBL6423814 0.86 AKR1C3 (0.39) AKR1C3AKR1C2TSHRKMT2ALMNA

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 AKR1C3 577/4885AKR1C2 563/4885TSHR 3525/4885

“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.