SCHEMBL6465122

SCHEMBL6465122

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
ELANE P08246 1/20 0.31
CTRC Q99895 1/20 0.31
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
TACR2 P21452 1/20 0.30
TACR1 P25103 1/20 0.30
TACR3 P29371 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
SCHEMBL6426689 1.00 TSHR (0.33) TSHRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6459157 0.97 TSHR (0.33) TSHRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6424227 0.94 TSHR (0.38) TSHRAKR1C3AKR1C2
SCHEMBL6426412 0.94 TSHR (0.38) TSHRAKR1C3AKR1C2
SCHEMBL6426769 0.94 AKR1C3 (0.33) TSHRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6453105 0.94 AKR1C3 (0.33) TSHRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6428597 0.93 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2PTGS1ELANE
SCHEMBL6428421 0.93 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2PTGS1ELANE
SCHEMBL6426833 0.92 TSHR (0.37) TSHRAKR1C3AKR1C2
SCHEMBL6424844 0.91 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGS1

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 3525/4885AKR1C3 577/4885AKR1C2 563/4885

“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.