SCHEMBL6427345

SCHEMBL6427345

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ABCB11 O95342 1/20 0.34
CCKBR P32239 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PTGS2 P35354 3/20 0.33
PTGS1 P23219 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
SCHEMBL6424801 0.97 TSHR (0.35) TSHRABCB11CCKBRAKR1C3AKR1C2
SCHEMBL6423934 0.97 TSHR (0.35) TSHRABCB11CCKBRAKR1C3AKR1C2
SCHEMBL6462992 0.94 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6425691 0.94 SLC6A4 (0.36) TSHRABCB11AKR1C3AKR1C2SLC6A2
SCHEMBL6425859 0.94 SLC6A4 (0.36) TSHRABCB11AKR1C3AKR1C2SLC6A2
SCHEMBL5560521 0.93 ABCB11 (0.37) TSHRABCB11AKR1C3AKR1C2PTGS2
SCHEMBL6463233 0.91 AKR1C3 (0.34) TSHRABCB11AKR1C3AKR1C2PTGS2
SCHEMBL6422943 0.91 AKR1C3 (0.34) TSHRABCB11AKR1C3AKR1C2PTGS2
SCHEMBL6424491 0.90 AKR1C3 (0.41) ABCB11AKR1C3AKR1C2SLC6A3PTGS2
SCHEMBL6424377 0.90 ABCB11 (0.37) TSHRABCB11AKR1C3AKR1C2SLC6A2

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 4380/4885CCKBR 876/4885

“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.