SCHEMBL6425817

SCHEMBL6425817

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
EPHX2 P34913 1/20 0.38
PIK3CD O00329 1/20 0.37
LMNA P02545 1/20 0.37
MGLL Q99685 1/20 0.37
GRM5 P41594 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 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
SCHEMBL6426400 0.98 TDP1 (0.41) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6426610 0.89 PTGS2 (0.44) KDM4EPTGS1PTGS2MGLLGRM5
SCHEMBL6427504 0.88 USP2 (0.39) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6427348 0.88 PTGS2 (0.42) AKR1C3AKR1C2PTGS1PTGS2MGLL
SCHEMBL6427376 0.87 PTGS2 (0.44) KDM4EPTGS1PTGS2MGLLKMT2A
SCHEMBL6425674 0.86 TDP1 (0.41) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6426823 0.86 PTGS2 (0.42) AKR1C3AKR1C2PTGS1PTGS2MGLL
SCHEMBL6423941 0.85 PTGS2 (0.43) AKR1C3AKR1C2PTGS1PTGS2MGLL
SCHEMBL6426671 0.84 AKR1C3 (0.41) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6423571 0.84 USP2 (0.39) AKR1C3AKR1C2USP2TDP1KDM4E

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 563/4885USP2 156/4885

“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.