SCHEMBL6460948

SCHEMBL6460948

Cc1c(C(C)(C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
TACR3 P29371 6/20 0.33
TACR2 P21452 4/20 0.33
TACR1 P25103 3/20 0.33
MAOB P27338 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
KCNH2 Q12809 1/20 0.30
PPARG P37231 1/20 0.30
NOTUM Q6P988 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL6422809 0.94 HPGD (0.34) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6425340 0.92 MEN1 (0.36) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6465237 0.90 RORC (0.33) RORCAKR1C3AKR1C2TACR3TACR2
SCHEMBL6422846 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6464344 0.89 AKR1C3 (0.35) RORCAKR1C3AKR1C2TACR3TACR2
SCHEMBL6451617 0.88 RORC (0.33) RORCAKR1C3AKR1C2TACR3TACR2
SCHEMBL6453108 0.88 AKR1C3 (0.34) RORCAKR1C3AKR1C2TACR3TACR2
SCHEMBL6465125 0.87 AKR1C3 (0.33) RORCAKR1C3AKR1C2TACR3TACR2
SCHEMBL6423698 0.87 ALDH1A1 (0.39) AKR1C3AKR1C2NOTUM
SCHEMBL6428613 0.85 AKR1C3 (0.39) AKR1C3AKR1C2NOTUM

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 RORC 3642/4885AKR1C3 577/4885AKR1C2 563/4885

“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.