SCHEMBL6428308

SCHEMBL6428308

CCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12

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 3/20 0.37
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 2/20 0.35
NOTUM Q6P988 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALOX12 P18054 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL6423494 0.94 AKR1C3 (0.39) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6423956 0.92 AKR1C3 (0.41) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6426966 0.91 AKR1C3 (0.35) AKR1C3AKR1C2KMT2AHPGDSMN1; SMN2
SCHEMBL6423338 0.89 AKR1C3 (0.38) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6424381 0.88 AKR1C3 (0.34) AKR1C3AKR1C2KMT2AMEN1HSP90AA1
SCHEMBL6426719 0.86 AKR1C3 (0.42) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6423936 0.86 ABCB11 (0.35) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6425334 0.85 ALDH1A1 (0.36) AKR1C3AKR1C2KMT2AHPGDSMN1; SMN2
SCHEMBL6426767 0.85 AKR1C3 (0.41) AKR1C3AKR1C2LMNAKMT2AKDM4E
SCHEMBL6463238 0.85 AKR1C3 (0.34) AKR1C3AKR1C2HSP90AA1HSP90AB1PTGS1

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.