SCHEMBL6739072

SCHEMBL6739072

Cc1cc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)COC2=O)ccc1S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.60
PTGS1 P23219 9/20 0.60
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MT-CO2 P00403 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MC4R P32245 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL6718937 0.95 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6738311 0.94 PTGS2 (0.70) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6733764 0.94 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729200 0.94 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6725497 0.93 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6722749 0.91 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6722733 0.91 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6726349 0.90 PTGS2 (0.74) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6742866 0.89 PTGS2 (0.66) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6721347 0.89 PTGS2 (0.64) 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 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 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.