SCHEMBL220501

SCHEMBL220501

O=C(O)Cc1ccccc1NP(=O)(O)Oc1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 6/20 0.56
PTGS2 P35354 4/20 0.56
TTR P02766 3/20 0.56
AKR1B10 O60218 1/20 0.56
UGT1A9 O60656 1/20 0.56
TRPA1 O75762 1/20 0.56
ABCB11 O95342 1/20 0.56
MT-CO2 P00403 1/20 0.56
ALB P02768 1/20 0.56
UGT1A6 P19224 1/20 0.56
UGT1A1 P22309 1/20 0.56
PTGS1 P23219 1/20 0.56
CXCR1 P25024 1/20 0.56
ADRA1A P35348 1/20 0.56
AGTR2 P50052 1/20 0.56
NR1I3 Q14994 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
UGT1A7 Q9HAW7 1/20 0.56
UGT1A10 Q9HAW8 1/20 0.56

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 SCHEMBL28275411 0.76 PTGS2 (0.89) CXCL8PTGS2TTRAKR1B10UGT1A9
SCHEMBL27588261 0.72 CXCL8 (0.64) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL996716 0.72 PTGS2 (1.00) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL2799 0.72 PTGS2 (1.00) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL29354260 0.72 PTGS2 (1.00) CXCL8PTGS2TTRAKR1B10UGT1A9
SCHEMBL6243911 0.71 CXCL8 (1.00) CXCL8PTGS2TTRAKR1B10UGT1A9
SCHEMBL22981599 0.71 PTGS2 (0.75) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL40785 0.71 PTGS2 (0.97) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL3184302 0.71 PTGS2 (0.97) CXCL8PTGS2TTRAKR1B10UGT1A9
Diclofenac SCHEMBL22370200 0.71 PTGS2 (0.97) CXCL8PTGS2TTRAKR1B10UGT1A9

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 CXCL8 3555/4885PTGS2 2779/4885TTR 1635/4885

“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.