SCHEMBL6425577

SCHEMBL6425577

Cc1c([C@H](CC(C)(C)C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
LMNA P02545 1/20 0.34
ELANE P08246 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
NOTUM Q6P988 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 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
SCHEMBL6423915 0.92 MEN1 (0.34) AKR1C3AKR1C2LMNAELANEALDH1A1
SCHEMBL6426664 0.90 LMNA (0.38) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6428611 0.90 LMNA (0.38) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6426001 0.89 AKR1C3 (0.34) AKR1C3AKR1C2
SCHEMBL6426088 0.88 LMNA (0.37) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6424942 0.88 AKR1C3 (0.36) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6423811 0.88 LMNA (0.37) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6426762 0.88 AKR1C3 (0.40) AKR1C3AKR1C2LMNAELANETSHR
SCHEMBL6465234 0.87 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL6425759 0.87 AKR1C3 (0.33) AKR1C3AKR1C2TSHRNOTUM

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.