SCHEMBL6739699

SCHEMBL6739699

CSc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3F)COC2=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.55
PTGS1 P23219 6/20 0.55
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MT-CO2 P00403 1/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MC4R P32245 1/20 0.46

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
SCHEMBL6740889 0.83 PTGS2 (0.68) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6738195 0.83 PTGS2 (0.77) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6738954 0.83 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6735299 0.82 PTGS2 (0.72) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739102 0.81 PTGS2 (0.65) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6741592 0.81 PTGS2 (0.54) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739514 0.80 PTGS2 (0.74) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6740294 0.80 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6740505 0.78 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739443 0.78 PTGS2 (0.47) 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
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

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.