SCHEMBL6743207

SCHEMBL6743207

CCC1OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
PTGS2 P35354 8/20 0.42
PTGS1 P23219 6/20 0.42
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
GRM2 Q14416 1/20 0.34
SCD O00767 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 0.90 NR3C1 (0.44) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6742699 0.90 NR3C1 (0.54) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6741612 0.85 PTGS2 (0.45) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6744040 0.83 NR3C1 (0.39) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6742552 0.83 PTGS2 (0.43) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL28748124 0.80 NR3C1 (0.44) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6739092 0.75 NR3C1 (0.52) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6738511 0.74 PTGS2 (0.48) NR3C1PGRNR3C2PTGS2PTGS1
SCHEMBL6726009 0.74 PTGS1 (0.72) PTGS2PTGS1
SCHEMBL6997576 0.71 PTGS2 (0.53) PGRPTGS2PTGS1

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 8 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
CN-1443180-A Novel compounds having anti-inflammatory activity, process for their preparation and pharmaceutical compositions containing them REDDY LAB LTD (IN) 2003-09-17 CN 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
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 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
CN-1443180-A Novel compounds having anti-inflammatory activity, process for their preparation and pharmaceutical compositions containing them REDDY LAB LTD (IN) 2003-09-17 CN 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 NR3C1 1451/4885PGR 4715/4885NR3C2 1024/4885

“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.