SCHEMBL6423591

SCHEMBL6423591

CCCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
SRC P12931 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6422833 0.94 AKR1C3 (0.41) AKR1C3AKR1C2LMNAELANESRC
SCHEMBL6425855 0.92 AKR1C3 (0.41) AKR1C3AKR1C2LMNAELANESRC
SCHEMBL6424197 0.91 ELANE (0.36) AKR1C3AKR1C2LMNAELANESRC
SCHEMBL6426708 0.88 AKR1C3 (0.44) AKR1C3AKR1C2LMNAELANECNR2
SCHEMBL6424170 0.86 AKR1C3 (0.34) AKR1C3AKR1C2HSP90AA1HSP90AB1TSHR
SCHEMBL6423745 0.86 AKR1C3 (0.43) AKR1C3AKR1C2LMNAMAPTKDM4E
SCHEMBL6423899 0.85 AKR1C3 (0.37) AKR1C3AKR1C2LMNAELANECNR2
SCHEMBL6426914 0.85 AKR1C3 (0.42) AKR1C3AKR1C2LMNAELANESRC
SCHEMBL6426427 0.85 ELANE (0.37) AKR1C3AKR1C2LMNAELANESRC
SCHEMBL6423494 0.84 AKR1C3 (0.39) AKR1C3AKR1C2LMNAELANECNR2

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.