Diclofenac

Diclofenac

SCHEMBL22370200

O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[H+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Diclofenac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 8/20 0.97
PTGS1 known ✓ P23219 2/20 0.97
CXCL8 P10145 4/20 0.97
TTR P02766 3/20 0.97
AKR1B10 O60218 1/20 0.97
UGT1A9 O60656 1/20 0.97
TRPA1 O75762 1/20 0.97
ABCB11 O95342 1/20 0.97
MT-CO2 P00403 1/20 0.97
ALB P02768 1/20 0.97
UGT1A6 P19224 1/20 0.97
UGT1A1 P22309 1/20 0.97
CXCR1 P25024 1/20 0.97
ADRA1A P35348 1/20 0.97
AGTR2 P50052 1/20 0.97
NR1I3 Q14994 1/20 0.97
SLC22A6 Q4U2R8 1/20 0.97
NR1H4 Q96RI1 1/20 0.97
UGT1A7 Q9HAW7 1/20 0.97
UGT1A10 Q9HAW8 1/20 0.97

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
Diclofenac SCHEMBL996716 0.98 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL29354260 0.98 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL2799 0.98 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL2216520 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL22129258 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL3184302 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL1231246 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL418230 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL4614418 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10
Diclofenac SCHEMBL40785 0.97 PTGS2 (0.97) PTGS2CXCL8TTRPTGS1AKR1B10

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-20200276312-A1 Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons UNIV ROCHESTER (US) 2020-09-03 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-20200276312-A1 Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons P2RX3, P2RX1, P2RX2 PTGS2 744/4885PTGS1 413/4885CXCL8 2010/4885

“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.