SCHEMBL6424255

SCHEMBL6424255

Cc1c(C(C)C(=O)NC(C)(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 3/20 0.42
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
S1PR3 Q99500 1/20 0.34
SLC22A12 Q96S37 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
SCHEMBL6424252 1.00 PTGS2 (0.42) PTGS2PTGS1CHRNA1CHRNGCHRNB1
SCHEMBL5554117 0.92 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5558628 0.90 PTGS2 (0.42) PTGS2PTGS1CHRNA1CHRNGCHRNB1
SCHEMBL5560001 0.89 CHRNA1 (0.35) PTGS2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5559999 0.89 CHRNA1 (0.35) PTGS2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5555412 0.89 PTGS2 (0.55) PTGS2PTGS1SLC6A3AKR1C3AKR1C2
SCHEMBL5560092 0.89 PTGS2 (0.55) PTGS2PTGS1SLC6A3AKR1C3AKR1C2
SCHEMBL5554424 0.89 PTGS2 (0.55) PTGS2PTGS1SLC6A3AKR1C3AKR1C2
SCHEMBL5559434 0.88 AKR1C3 (0.42) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5559436 0.88 AKR1C3 (0.42) PTGS2PTGS1AKR1C3AKR1C2

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 2 patents. 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
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PTGS1 6/4885CHRNA1 3363/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885CHRNA1 4371/4885

“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.