SCHEMBL6426771

SCHEMBL6426771

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL6463590 0.95 AKR1C3 (0.32) AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6424514 0.91 AKR1C3 (0.33) AKR1C3AKR1C2SLC6A3SLC6A2KMT2A
SCHEMBL6426457 0.91 AKR1C3 (0.41) AKR1C3AKR1C2SLC6A3KMT2APTGS1
SCHEMBL6425887 0.91 AKR1C3 (0.32) AKR1C3AKR1C2TSHRBACE1PTGS1
SCHEMBL6426531 0.89 ABCB11 (0.34) AKR1C3AKR1C2SLC6A4SLC6A3SLC6A2
SCHEMBL6424559 0.89 MEN1 (0.37) AKR1C3AKR1C2SLC6A4SLC6A3SLC6A2
SCHEMBL6422620 0.88 AKR1C3 (0.37) AKR1C3AKR1C2TSHRLMNA
SCHEMBL6424397 0.86 AKR1C3 (0.34) AKR1C3AKR1C2SLC6A4SLC6A3SLC6A2
SCHEMBL6426593 0.85 PPARG (0.41) AKR1C3AKR1C2
SCHEMBL6451617 0.85 RORC (0.33) AKR1C3AKR1C2PTGS1PTGS2

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 563/4885SLC6A4 1355/4885

“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.