SCHEMBL6423630

SCHEMBL6423630

Cc1c([C@](C)(C(=O)O)C2CCC2)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
SRC P12931 1/20 0.34
PLA2G7 Q13093 1/20 0.34
LMNA P02545 1/20 0.34
MGLL Q99685 1/20 0.34
GRM5 P41594 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CD O00329 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
SCHEMBL6424870 0.98 TDP1 (0.38) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6423432 0.91 HSD11B1 (0.37) KDM4ESMN1; SMN2HSD11B1ALDH1A1MEN1
SCHEMBL6423665 0.89 ALDH1A1 (0.37) AKR1C3AKR1C2KDM4ESMN1; SMN2HSD11B1
SCHEMBL6425919 0.89 HSD11B1 (0.35) AKR1C3AKR1C2HSD11B1ALDH1A1MEN1
SCHEMBL6426672 0.88 AKR1C3 (0.42) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6423997 0.87 HSD11B1 (0.35) AKR1C3AKR1C2HSD11B1ALDH1A1MEN1
SCHEMBL6453005 0.86 PDE2A (0.35) AKR1C3AKR1C2KDM4EHTTLMNA
SCHEMBL6424784 0.86 HSD11B1 (0.36) AKR1C3AKR1C2KDM4EHTTHSD11B1
SCHEMBL6425630 0.86 AKR1C3 (0.41) AKR1C3AKR1C2KDM4EMEN1KMT2A
SCHEMBL6427493 0.86 AKR1C3 (0.42) 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.