SCHEMBL6422809

SCHEMBL6422809

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
TSHR P16473 2/20 0.33
NOTUM Q6P988 1/20 0.33
RORC P51449 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD11B1 P28845 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 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
SCHEMBL6460948 0.94 RORC (0.34) AKR1C3AKR1C2NOTUMRORCPTGS1
SCHEMBL6425761 0.90 AKR1C3 (0.33) HPGDAKR1C3AKR1C2TSHRNOTUM
SCHEMBL6425340 0.89 MEN1 (0.36) AKR1C3AKR1C2RORCPTGS1PTGS2
SCHEMBL6422846 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1PTGS2KMT2A
SCHEMBL6425887 0.88 AKR1C3 (0.32) HPGDAKR1C3AKR1C2TSHRNOTUM
SCHEMBL6423719 0.88 AKR1C3 (0.34) HPGDAKR1C3AKR1C2TSHRNOTUM
SCHEMBL6424868 0.88 ABCB11 (0.36) HPGDAKR1C3AKR1C2TSHRNOTUM
SCHEMBL6424231 0.87 TSHR (0.34) HPGDAKR1C3AKR1C2TSHRNOTUM
SCHEMBL6423698 0.87 ALDH1A1 (0.39) AKR1C3AKR1C2NOTUMALDH1A1HSD11B1
SCHEMBL6428613 0.85 AKR1C3 (0.39) AKR1C3AKR1C2TSHRNOTUMALDH1A1

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 HPGD 15/4885AKR1C3 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.