SCHEMBL6723829

SCHEMBL6723829

CSc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.58
KMT2A Q03164 1/20 0.55
PTGS2 P35354 9/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MT-CO2 P00403 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MC4R P32245 1/20 0.50
CYP19A1 P11511 1/20 0.45
NR3C2 P08235 1/20 0.43

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
SCHEMBL6738732 0.91 PTGS1 (0.48) PTGS1KMT2APTGS2CYP19A1NR3C2
SCHEMBL6737475 0.91 PTGS1 (0.62) PTGS1KMT2APTGS2CYP19A1NR3C2
SCHEMBL6734355 0.87 PTGS1 (0.64) PTGS1KMT2APTGS2ALDH1A1CYP19A1
SCHEMBL6739428 0.85 KMT2A (0.57) PTGS1KMT2APTGS2ABCB11ALDH1A1
SCHEMBL6740507 0.84 KMT2A (0.55) PTGS1KMT2APTGS2ABCB11ALDH1A1
SCHEMBL6736589 0.83 KMT2A (0.58) PTGS1KMT2APTGS2ABCB11ALDH1A1
SCHEMBL6733581 0.83 PTGS1 (0.46) PTGS1PTGS2CYP19A1NR3C2
SCHEMBL6739118 0.82 CYP19A1 (0.63) PTGS1KMT2APTGS2ABCB11ALDH1A1
SCHEMBL6737927 0.81 PTGS1 (0.57) PTGS1PTGS2CYP19A1NR3C2
SCHEMBL6742844 0.80 PTGS1 (0.62) PTGS1KMT2APTGS2CYP19A1NR3C2

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 10 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 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
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 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 (3 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS1 4/4885KMT2A 1836/4885PTGS2 5/4885
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 PTGS1 42/4885KMT2A 4740/4885PTGS2 190/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS1 4/4885KMT2A 2035/4885PTGS2 5/4885

“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.