SCHEMBL6744003

SCHEMBL6744003

COc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(C)c3)COC2=O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.57
PTGS2 P35354 11/20 0.46
PTGS1 P23219 7/20 0.43
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MT-CO2 P00403 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6739054 0.91 CYP19A1 (0.62) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3243749 0.84 PTGS2 (0.61) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6743245 0.83 PTGS1 (0.57) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6733379 0.83 CYP19A1 (0.57) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6738205 0.82 LMNA (0.57) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6743105 0.80 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6743252 0.80 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3246713 0.80 PTGS2 (0.62) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6739072 0.79 PTGS2 (0.60) CYP19A1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6738311 0.78 PTGS2 (0.70) CYP19A1PTGS2PTGS1ABCB11ALDH1A1

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 6 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
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 CYP19A1 3798/4885PTGS2 190/4885PTGS1 42/4885

“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.