SCHEMBL577330

SCHEMBL577330

COc1ccc2cc(C(C)C(=O)NN3C(O)c4ccccc4C3O)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
PTGS1 P23219 2/20 0.56
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
TSHR P16473 2/20 0.56
CDC42 P60953 1/20 0.56
RAC1 P63000 1/20 0.56
CYP1A2 P05177 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SMYD3 Q9H7B4 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
RIOK2 Q9BVS4 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL577152 0.78 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL19953819 0.76 PTGS2 (0.69) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL30536488 0.76 PTGS2 (0.69) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL27291253 0.75 MEN1 (0.71) PTGS2PTGS1AKR1C3AKR1C2TSHR
Naproxen SCHEMBL2472359 0.75 AKR1C3 (0.97) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL576763 0.74 AKR1C3 (0.50) PTGS2PTGS1AKR1C3AKR1C2TSHR
Naproxen SCHEMBL23753934 0.74 AKR1C3 (0.88) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL221201 0.74 PTGS2 (0.68) PTGS2PTGS1AKR1C3AKR1C2TSHR
Naproxen SCHEMBL28881206 0.74 AKR1C3 (0.88) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL27277917 0.74 PTGS2 (0.68) PTGS2PTGS1AKR1C3AKR1C2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 PTGS2 12/4885PTGS1 8/4885AKR1C3 1611/4885

“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.