SCHEMBL6424917

SCHEMBL6424917

CCC(C)C[C@H](C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SLC6A2 P23975 1/20 0.32
APP P05067 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 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
SCHEMBL6425256 1.00 GRN (0.34) GRNSORT1AKR1C3AKR1C2SLC6A4
SCHEMBL6461907 0.95 IDO1 (0.33) AKR1C3AKR1C2
SCHEMBL6454293 0.95 IDO1 (0.33) AKR1C3AKR1C2
SCHEMBL6425885 0.92 GRN (0.40) GRNSORT1AKR1C3AKR1C2PSEN1
SCHEMBL6422805 0.92 AKR1C3 (0.35) GRNSORT1AKR1C3AKR1C2SLC6A4
SCHEMBL6424173 0.92 AKR1C3 (0.35) GRNSORT1AKR1C3AKR1C2SLC6A4
SCHEMBL6423940 0.91 AKR1C3 (0.41) AKR1C3AKR1C2SLC6A3KMT2A
SCHEMBL6424680 0.91 AKR1C3 (0.33) AKR1C3AKR1C2KMT2A
SCHEMBL6425659 0.91 AKR1C3 (0.41) AKR1C3AKR1C2SLC6A3KMT2A
SCHEMBL6424511 0.91 AKR1C3 (0.33) AKR1C3AKR1C2KMT2A

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 GRN 4727/4885SORT1 4884/4885AKR1C3 577/4885

“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.