SCHEMBL6464934

SCHEMBL6464934

Cc1c([C@](C)(C(=O)O)C2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
RORC P51449 1/20 0.34
MGLL Q99685 5/20 0.34
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
FAAH O00519 1/20 0.32
TACR2 P21452 4/20 0.31
TACR3 P29371 4/20 0.31
TACR1 P25103 3/20 0.31
PTGS2 P35354 4/20 0.31
PTGS1 P23219 2/20 0.31
KCNH2 Q12809 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6453005 0.98 PDE2A (0.35) PDE2ARORCMGLLAKR1C3AKR1C2
SCHEMBL6424976 0.95 HSD11B1 (0.36) RORCMGLLAKR1C3AKR1C2FAAH
SCHEMBL6424784 0.93 HSD11B1 (0.36) RORCMGLLAKR1C3AKR1C2FAAH
SCHEMBL6423997 0.92 HSD11B1 (0.35) PDE2AMGLLAKR1C3AKR1C2FAAH
SCHEMBL6423924 0.91 AKR1C3 (0.41) MGLLAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6425919 0.90 HSD11B1 (0.35) PDE2AMGLLAKR1C3AKR1C2FAAH
SCHEMBL6458635 0.89 PTGS2 (0.42) PDE2ARORCMGLLAKR1C3AKR1C2
SCHEMBL6425630 0.89 AKR1C3 (0.41) MGLLAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6423665 0.89 ALDH1A1 (0.37) MGLLAKR1C3AKR1C2HSD11B1
SCHEMBL6454267 0.88 PTGS2 (0.42) PDE2ARORCMGLLAKR1C3AKR1C2

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 846/4885RORC 3642/4885MGLL 108/4885

“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.