SCHEMBL6427562

SCHEMBL6427562

Cc1c(C(C)(C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
HSD11B1 P28845 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
SRC P12931 3/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKACA P17612 2/20 0.34
PRKACG P22612 2/20 0.34
PRKACB P22694 2/20 0.34
TSHR P16473 2/20 0.33
ABCB1 P08183 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
IGFBP3 P17936 1/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 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
SCHEMBL6454523 0.94 RORC (0.40) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6426637 0.90 RORC (0.35) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6426526 0.89 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2SRC
SCHEMBL6425968 0.88 MEN1 (0.36) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6425487 0.88 AKR1C3 (0.36) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6425727 0.88 RORC (0.34) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6426038 0.87 AKR1C3 (0.35) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6426438 0.87 SRC (0.38) RORCAKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6424170 0.86 AKR1C3 (0.34) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6424397 0.85 AKR1C3 (0.34) RORCAKR1C3AKR1C2HSD11B1PTGS1

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.