SCHEMBL6425670

SCHEMBL6425670

CCCCC(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
ELANE P08246 2/20 0.34
CTRC Q99895 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CD O00329 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6423335 1.00 LMNA (0.36) LMNAAKR1C3AKR1C2ELANECTRC
SCHEMBL6423895 0.97 LMNA (0.35) LMNAAKR1C3AKR1C2ELANECTRC
SCHEMBL6423811 0.94 LMNA (0.37) LMNAAKR1C3AKR1C2ELANETSHR
SCHEMBL6426088 0.94 LMNA (0.37) LMNAAKR1C3AKR1C2ELANETSHR
SCHEMBL6425601 0.92 ALDH1A1 (0.39) LMNAELANECTRCALDH1A1
SCHEMBL6426827 0.92 ALDH1A1 (0.39) LMNAELANECTRCALDH1A1
SCHEMBL6428611 0.91 LMNA (0.38) LMNAAKR1C3AKR1C2ELANETSHR
SCHEMBL6426664 0.91 LMNA (0.38) LMNAAKR1C3AKR1C2ELANETSHR
SCHEMBL6425602 0.89 ALDH1A1 (0.38) LMNAELANEALDH1A1
SCHEMBL6428421 0.89 AKR1C3 (0.33) AKR1C3AKR1C2ELANECTRC

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 LMNA 3613/4885AKR1C3 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.