SCHEMBL5540417

SCHEMBL5540417

CC(C)Cc1ccc(C(C)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.55
PTGS1 P23219 4/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
SLC6A2 P23975 1/20 0.53
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49

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
SCHEMBL577384 0.89 PTGS2 (0.63) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL23969657 0.83 PTGS2 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5539028 0.81 PTGS1 (0.55) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5540441 0.79 PTGS2 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5540399 0.79 PTGS1 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL576679 0.79 PTGS2 (0.57) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL24687996 0.77 CYP3A4 (0.56) CYP2C9TSHRHPGDALDH1A1
SCHEMBL12986500 0.76 FAAH (0.66) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5538883 0.76 PTGS2 (0.57) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL17464177 0.76 PTGS2 (0.66) PTGS2PTGS1PGRADORA3SLC6A2

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-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
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

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 8/4885PGR 1593/4885

“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.