SCHEMBL6423627

SCHEMBL6423627

Cc1c([C@H](CC2CCC2)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.33
PIK3CD O00329 1/20 0.33
ELANE P08246 1/20 0.33
PLA2G7 Q13093 1/20 0.33
CCR5 P51681 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6424869 0.98 TDP1 (0.37) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6423431 0.91 MEN1 (0.36) AKR1C3AKR1C2KDM4ELMNAMEN1
SCHEMBL6423659 0.90 METAP2 (0.36) AKR1C3AKR1C2KDM4ELMNAMEN1
SCHEMBL6425917 0.89 MEN1 (0.33) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL6426671 0.89 AKR1C3 (0.41) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6423996 0.88 USP30 (0.33) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL6424780 0.87 TSHR (0.34) AKR1C3AKR1C2HSD11B1
SCHEMBL6453001 0.87 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL6425625 0.87 AKR1C3 (0.41) AKR1C3AKR1C2KDM4ELMNAMEN1
SCHEMBL6427491 0.87 AKR1C3 (0.41) 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.