SCHEMBL6742552

SCHEMBL6742552

CCC1OC(=O)C(c2ccc(OC)c(C)c2)=C1c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.43
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
PTGS1 P23219 3/20 0.38
KDM4E B2RXH2 1/20 0.35
CXCR2 P25025 1/20 0.33
DPP4 P27487 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL6734556 0.85 NR3C1 (0.44) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6744040 0.84 NR3C1 (0.39) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6742699 0.83 NR3C1 (0.54) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6743207 0.83 NR3C1 (0.45) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6733379 0.76 CYP19A1 (0.57) PTGS2PTGS1
SCHEMBL6838945 0.74 PTGS2 (0.39) PTGS2PTGS1NR1H2
SCHEMBL6846585 0.72 PTGS2 (0.44) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL5377415 0.71 PTGS2 (0.40) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6846488 0.71 PTGS2 (0.36) PTGS2NR3C1PGRNR3C2PTGS1
SCHEMBL6844095 0.70 MEN1 (0.39) PTGS2PGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US claimed
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 US claimed
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US disclosed
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 US disclosed
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 WO 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-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPSAB1, ACE PTGS2 190/4885NR3C1 1451/4885PGR 4715/4885

“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.