SCHEMBL6428613

SCHEMBL6428613

Cc1c(C(C)(C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PLA2G7 Q13093 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPY2R P49146 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6423698 0.91 ALDH1A1 (0.39) AKR1C3AKR1C2LMNASMN1; SMN2NOTUM
SCHEMBL6425579 0.90 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G7LMNASMN1; SMN2
SCHEMBL6424944 0.88 AKR1C3 (0.37) AKR1C3AKR1C2PLA2G7LMNASMN1; SMN2
SCHEMBL6423814 0.88 AKR1C3 (0.39) AKR1C3AKR1C2PLA2G7LMNASMN1; SMN2
SCHEMBL6425340 0.87 MEN1 (0.36) AKR1C3AKR1C2KMT2ACES2CES1
SCHEMBL6423338 0.87 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G7LMNASMN1; SMN2
SCHEMBL6426719 0.86 AKR1C3 (0.42) AKR1C3AKR1C2PLA2G7LMNASMN1; SMN2
SCHEMBL6460948 0.85 RORC (0.34) AKR1C3AKR1C2NOTUM
SCHEMBL6422809 0.85 HPGD (0.34) AKR1C3AKR1C2LMNASMN1; SMN2NOTUM
SCHEMBL6422846 0.85 AKR1C3 (0.43) AKR1C3AKR1C2LMNAKMT2AMAPT

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 563/4885PLA2G7 33/4885

“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.