SCHEMBL6428229

SCHEMBL6428229

Cc1c([C@](C)(C(=O)O)C2CCCC2)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 3/20 0.34
HPGD P15428 1/20 0.34
PGR P06401 2/20 0.34
TSHR P16473 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HCRTR1 O43613 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 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
SCHEMBL6428233 0.98 HSD11B1 (0.34) ALDH1A1HSD11B1HPGDPGRTSHR
SCHEMBL6464703 0.94 PDE2A (0.34) HSD11B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6460409 0.92 PDE2A (0.34) HSD11B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6428282 0.90 AKR1C3 (0.39) CYP1A2CYP2D6ABCB11AKR1C3AKR1C2
SCHEMBL6424162 0.89 TSHR (0.35) ALDH1A1HSD11B1HPGDPGRTSHR
SCHEMBL6426851 0.89 MEN1 (0.33) HSD11B1PGRAKR1C3AKR1C2TAS1R3
SCHEMBL6426874 0.89 ALDH1A1 (0.37) ALDH1A1HSD11B1HPGDCYP2D6CYP2C19
SCHEMBL6425722 0.88 AKR1C3 (0.39) CYP1A2CYP2D6ABCB11AKR1C3AKR1C2
SCHEMBL6423663 0.88 HSD11B1 (0.34) ALDH1A1HSD11B1HPGDPGRTSHR
SCHEMBL6424325 0.87 MEN1 (0.33) HSD11B1PGRAKR1C3AKR1C2TAS1R3

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 ALDH1A1 630/4885HSD11B1 1120/4885HPGD 15/4885

“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.