SCHEMBL6428310

SCHEMBL6428310

Cc1c(C(C(=O)O)C(C)(C)C)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
SRC P12931 2/20 0.38
ELANE P08246 2/20 0.35
PLA2G7 Q13093 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.33
IGFBP3 P17936 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 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
SCHEMBL6428320 0.90 SRC (0.36) AKR1C3AKR1C2SRCELANELMNA
SCHEMBL6423421 0.89 AKR1C3 (0.39) AKR1C3AKR1C2SRC
SCHEMBL6425546 0.88 MEN1 (0.34) AKR1C3AKR1C2SRCIGFBP3KMT2A
SCHEMBL5554437 0.88 SRC (0.40) AKR1C3AKR1C2SRCELANEPLA2G7
SCHEMBL5554442 0.88 SRC (0.40) AKR1C3AKR1C2SRCELANEPLA2G7
SCHEMBL5550631 0.88 SRC (0.40) AKR1C3AKR1C2SRCELANEPLA2G7
SCHEMBL6425023 0.87 AKR1C3 (0.45) AKR1C3AKR1C2ELANEPLA2G7LMNA
SCHEMBL6423760 0.87 AKR1C3 (0.39) AKR1C3AKR1C2SRCELANEPLA2G7
SCHEMBL6425556 0.87 BCL2 (0.40) AKR1C3AKR1C2SRCLMNA
SCHEMBL6423638 0.85 AKR1C3 (0.40) AKR1C3AKR1C2SRCELANEPLA2G7

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 563/4885SRC 3467/4885

“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.