SCHEMBL6423338

SCHEMBL6423338

CCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.35
ELANE P08246 1/20 0.35
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6423899 0.95 AKR1C3 (0.37) AKR1C3AKR1C2LMNATSHRELANE
SCHEMBL6423814 0.93 AKR1C3 (0.39) AKR1C3AKR1C2LMNATSHRELANE
SCHEMBL6426830 0.92 ALDH1A1 (0.36) AKR1C3AKR1C2LMNAELANENOTUM
SCHEMBL6428308 0.89 AKR1C3 (0.40) AKR1C3AKR1C2LMNATSHRELANE
SCHEMBL6428602 0.89 AKR1C3 (0.34) AKR1C3AKR1C2KMT2A
SCHEMBL6425604 0.87 ALDH1A1 (0.38) AKR1C3AKR1C2LMNAELANENOTUM
SCHEMBL6428613 0.87 AKR1C3 (0.39) AKR1C3AKR1C2LMNATSHRELANE
SCHEMBL6424231 0.87 TSHR (0.34) AKR1C3AKR1C2LMNATSHRNOTUM
SCHEMBL6465125 0.87 AKR1C3 (0.33) AKR1C3AKR1C2TSHRNOTUMKMT2A
SCHEMBL6424850 0.87 AKR1C3 (0.42) AKR1C3AKR1C2LMNAKMT2AMAPT

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 563/4885LMNA 3613/4885

“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.