SCHEMBL6423760

SCHEMBL6423760

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
SRC P12931 1/20 0.38
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PLA2G7 Q13093 1/20 0.35
LMNA P02545 1/20 0.35
ELANE P08246 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5554437 0.91 SRC (0.40) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL5550631 0.91 SRC (0.40) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL5554442 0.91 SRC (0.40) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6425328 0.90 AKR1C3 (0.38) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6426798 0.90 AKR1C3 (0.38) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6426800 0.90 AKR1C3 (0.38) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6425326 0.90 AKR1C3 (0.38) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6423765 0.90 AKR1C3 (0.38) AKR1C3AKR1C2SRCKMT2APIK3CD
SCHEMBL6422823 0.90 PTGS2 (0.37) AKR1C3AKR1C2SRCKMT2ALMNA
SCHEMBL6424376 0.89 AKR1C3 (0.40) AKR1C3AKR1C2SRC

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.