SCHEMBL6427488

SCHEMBL6427488

CCC(C)[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.33
AKR1C2 P52895 5/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 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
SCHEMBL6456488 0.92 AKR1C3 (0.33) AKR1C3AKR1C2SLC22A12PTGS2PTGS1
SCHEMBL6427281 0.91 CHRNA1 (0.35) AKR1C3AKR1C2CHRNA1CHRNGCHRNB1
SCHEMBL6423566 0.90 AKR1C3 (0.41) AKR1C3AKR1C2SLC6A3PTGS2PTGS1
SCHEMBL6426531 0.89 ABCB11 (0.34) AKR1C3AKR1C2SLC6A2SLC6A3SLC22A12
SCHEMBL6424514 0.89 AKR1C3 (0.33) AKR1C3AKR1C2CHRNA1CHRNGCHRNB1
SCHEMBL6424166 0.88 POLB (0.37) AKR1C3AKR1C2CHRNA1CHRNGCHRNB1
SCHEMBL6426429 0.88 AKR1C3 (0.39) AKR1C3AKR1C2SLC22A12MEN1KMT2A
SCHEMBL6425665 0.85 PPARG (0.41) AKR1C3AKR1C2PPARGPPARA
SCHEMBL6427531 0.85 AKR1C3 (0.35) AKR1C3AKR1C2CHRNA1CHRNGCHRNB1
SCHEMBL6425565 0.84 MEN1 (0.36) AKR1C3AKR1C2CHRNA1CHRNGCHRNB1

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 563/4885CHRNA1 4371/4885

“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.