SCHEMBL6741794

SCHEMBL6741794

Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(Cl)c3)COC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.64
PTGS1 P23219 7/20 0.53
ABCB11 O95342 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MT-CO2 P00403 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MC4R P32245 1/20 0.51

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
SCHEMBL6734282 0.91 PTGS2 (0.63) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6743105 0.87 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL27589155 0.85 PTGS2 (0.51) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6721347 0.85 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6738720 0.84 PTGS2 (0.68) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6718369 0.80 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6719266 0.79 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6743252 0.79 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6725405 0.79 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL13524329 0.78 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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 4 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
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
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 190/4885PTGS1 42/4885ABCB11 1415/4885

“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.