SCHEMBL6453537

SCHEMBL6453537

Cc1c([C@H](CC2CCCC2)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
PTGS2 P35354 1/20 0.32
F11 P03951 3/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
CXCR3 P49682 3/20 0.31
APP P05067 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
USP14 P54578 1/20 0.31
KLKB1 P03952 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
SCHEMBL6456659 0.98 PDE2A (0.33) PDE2ATACR2TACR1TACR3F11
SCHEMBL6424159 0.95 TSHR (0.34)
SCHEMBL6423656 0.93 TSHR (0.34) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL6425954 0.93 USP30 (0.33) PTGS2AKR1C3AKR1C2GRNSORT1
SCHEMBL6424288 0.91 AKR1C3 (0.39) PTGS2AKR1C3AKR1C2SLC6A3
SCHEMBL6423595 0.91 MEN1 (0.32) PTGS2AKR1C3AKR1C2
SCHEMBL6464700 0.91 PTGS2 (0.33) PDE2ATACR2TACR1TACR3PTGS2
SCHEMBL6425574 0.90 AKR1C3 (0.39) PTGS2AKR1C3AKR1C2SLC6A3
SCHEMBL6460405 0.89 AKR1C3 (0.33) PDE2ATACR2TACR1TACR3PTGS2
SCHEMBL6423796 0.89 METAP2 (0.36) GRNSORT1

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 PDE2A 846/4885TACR2 2967/4885TACR1 3510/4885

“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.