SCHEMBL6426412

SCHEMBL6426412

CCCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CCKBR P32239 2/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CCKAR P32238 1/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6424227 1.00 TSHR (0.38) TSHRCCKBRSLC6A4SLC6A3SLC6A2
SCHEMBL6426833 0.97 TSHR (0.37) TSHRCCKBRSLC6A4SLC6A3SLC6A2
SCHEMBL6465122 0.94 TSHR (0.33) TSHRAKR1C3AKR1C2
SCHEMBL6426689 0.94 TSHR (0.33) TSHRAKR1C3AKR1C2
SCHEMBL6423716 0.94 SLC6A4 (0.36) TSHRSLC6A4SLC6A3SLC6A2AKR1C3
SCHEMBL6425201 0.94 SLC6A4 (0.36) TSHRSLC6A4SLC6A3SLC6A2AKR1C3
SCHEMBL6459157 0.92 TSHR (0.33) TSHRCCKBRAKR1C3AKR1C2
SCHEMBL6428421 0.91 AKR1C3 (0.33) AKR1C3AKR1C2KMT2A
SCHEMBL6424844 0.91 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL6428597 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 TSHR 3525/4885CCKBR 876/4885SLC6A4 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.