SCHEMBL6428230

SCHEMBL6428230

Cc1c([C@H](CC2CCC2)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ABCB11 O95342 1/20 0.33
HSD11B1 P28845 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PGR P06401 1/20 0.33
HPGD P15428 1/20 0.33
APP P05067 1/20 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
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6428226 0.98 TSHR (0.34) TSHRABCB11HSD11B1AKR1C3AKR1C2
SCHEMBL6460405 0.94 AKR1C3 (0.33) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL6464700 0.92 PTGS2 (0.33) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL6425717 0.90 AKR1C3 (0.40) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6423656 0.90 TSHR (0.34) TSHRHSD11B1HPGDAPPPSEN1
SCHEMBL6424324 0.90 MEN1 (0.32) HSD11B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6428281 0.89 AKR1C3 (0.40) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6424159 0.88 TSHR (0.34) TSHRHSD11B1HPGDALDH1A1
SCHEMBL6426850 0.88 USP30 (0.33) HSD11B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5560521 0.87 ABCB11 (0.37) TSHRABCB11AKR1C3AKR1C2HPGD

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 TSHR 3525/4885ABCB11 4380/4885HSD11B1 1120/4885

“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.