SCHEMBL6426647

SCHEMBL6426647

Cc1c([C@](C)(C(=O)O)C(C)(C)C)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
PLA2G7 Q13093 1/20 0.36
ELANE P08246 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6428254 0.89 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6425427 0.88 PTGS1 (0.47) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6423640 0.87 AKR1C3 (0.41) AKR1C3AKR1C2LMNASMN1; SMN2HPGD
SCHEMBL6424014 0.86 PTGS1 (0.46) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6426872 0.86 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6426809 0.86 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6424140 0.85 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6462218 0.84 PTGS1 (0.46) AKR1C3AKR1C2PTGS1PTGS2GAA
SCHEMBL6426767 0.83 AKR1C3 (0.41) AKR1C3AKR1C2GAALMNASMN1; SMN2
SCHEMBL6426708 0.83 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1PTGS2LMNA

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 563/4885PTGS1 7/4885

“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.