SCHEMBL6464931

SCHEMBL6464931

Cc1c([C@H](CC2CCCC2)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PDE2A O00408 1/20 0.33
PTGS1 P23219 2/20 0.32
MGLL Q99685 3/20 0.31
FAAH O00519 1/20 0.31
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 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
ABCB1 P08183 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
SCHEMBL6453001 0.98 AKR1C3 (0.33) PTGS2AKR1C3AKR1C2PDE2APTGS1
SCHEMBL6424973 0.95 TSHR (0.34) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6424780 0.93 TSHR (0.34) PTGS2AKR1C3AKR1C2PTGS1MGLL
SCHEMBL6423996 0.92 USP30 (0.33) PTGS2AKR1C3AKR1C2PTGS1MGLL
SCHEMBL6423918 0.91 AKR1C3 (0.41) PTGS2AKR1C3AKR1C2PTGS1MGLL
SCHEMBL6425917 0.90 MEN1 (0.33) PTGS2AKR1C3AKR1C2PTGS1MGLL
SCHEMBL6458627 0.90 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PDE2APTGS1
SCHEMBL6425625 0.90 AKR1C3 (0.41) PTGS2AKR1C3AKR1C2PTGS1ABCB1
SCHEMBL6423659 0.89 METAP2 (0.36) PTGS2AKR1C3AKR1C2
SCHEMBL6454261 0.88 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PDE2APTGS1

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 PTGS2 4/4885AKR1C3 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.