SCHEMBL12049903

SCHEMBL12049903

Cc1c(Cl)cccc1Nc1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 12/20 0.71
▸ PTGS2 P35354 5/20 0.71
▸ LMNA P02545 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ AKR1C3 P42330 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ TTR P02766 1/20 0.71
▸ PLA2G1B P04054 1/20 0.71
▸ PGR P06401 1/20 0.71
▸ HTR1A P08908 1/20 0.71
▸ ADRA2A P08913 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ AR P10275 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ HPGD P15428 1/20 0.71

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
SCHEMBL16744265 0.85 PTGS2 (0.69) MT-CO2PTGS2LMNAMEN1CYP1A2
Tolfenamic Acid SCHEMBL8060884 0.83 MT-CO2 (1.00) MT-CO2PTGS2LMNAMEN1CYP1A2
SCHEMBL12608896 0.83 MT-CO2 (0.77) MT-CO2PTGS2LMNAMEN1CYP1A2
Tolfenamic Acid SCHEMBL29389998 0.83 MT-CO2 (1.00) MT-CO2PTGS2LMNAMEN1CYP1A2
Tolfenamic Acid SCHEMBL25190 0.83 MT-CO2 (1.00) MT-CO2PTGS2LMNAMEN1CYP1A2
Tolfenamic Acid SCHEMBL29484181 0.83 MT-CO2 (1.00) MT-CO2PTGS2LMNAMEN1CYP1A2
SCHEMBL29940889 0.82 MT-CO2 (0.75) MT-CO2PTGS2LMNAMEN1CYP1A2
Tolfenamic Acid SCHEMBL27540385 0.82 MT-CO2 (0.97) MT-CO2PTGS2LMNAMEN1CYP1A2
SCHEMBL16579971 0.82 MT-CO2 (0.75) MT-CO2PTGS2LMNAMEN1CYP1A2
SCHEMBL13465152 0.81 MT-CO2 (0.73) MT-CO2PTGS2LMNAMEN1CYP1A2

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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 — — 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 MT-CO2 3250/4885PTGS2 234/4885LMNA 1898/4885

“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.

Send feedback