SCHEMBL6424441

SCHEMBL6424441

COc1cc2c(C(C(=O)O)C3CCCC3)c(C)n(C(=O)c3ccc(F)cc3)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MAPK7 Q13164 1/20 0.39
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 3/20 0.36
HSD11B1 P28845 3/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6423785 0.98 AKR1C3 (0.41) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6426648 0.94 PTGS2 (0.39) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6426915 0.93 PTGS2 (0.38) AKR1C3AKR1C2PTGS2PTGS1NR1H4
SCHEMBL6425909 0.93 PTGS2 (0.39) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6424433 0.91 AKR1C3 (0.43) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6427277 0.91 PTGS2 (0.50) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6425200 0.91 PTGS2 (0.38) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6425812 0.90 PTGS2 (0.37) AKR1C3AKR1C2MAPK7PTGS2PTGS1
SCHEMBL6426815 0.90 PDE4B (0.43) AKR1C3AKR1C2MAPK7PTGS2
SCHEMBL6424240 0.89 AKR1C3 (0.43) AKR1C3AKR1C2MAPK7PTGS2PTGS1

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 AKR1C3 577/4885AKR1C2 563/4885MAPK7 2506/4885

“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.