SCHEMBL5899442

SCHEMBL5899442

O=C(CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
MMP1 P03956 1/20 0.54
BMP1 P13497 1/20 0.54
HSD11B1 P28845 1/20 0.53
TAS2R14 Q9NYV8 7/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NR1H3 Q13133 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47

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
SCHEMBL5899440 0.87 TAS2R14 (0.63) HSD11B1TAS2R14MEN1KMT2A
SCHEMBL5899445 0.83 TAS2R14 (0.66) TAS2R14MEN1KMT2ADAGLA
SCHEMBL5899551 0.82 TAS2R14 (0.56) BMP1TAS2R14MEN1KMT2AKEAP1
SCHEMBL8064179 0.82 TAS2R14 (0.55) PTPN1HSD11B1TAS2R14MEN1KMT2A
SCHEMBL5899564 0.79 HSD11B1 (0.51) MMP1HSD11B1TAS2R14MEN1KMT2A
SCHEMBL1287322 0.75 MEN1 (0.65) TAS2R14MEN1KMT2A
SCHEMBL1169357 0.74 TAS2R14 (0.75) TAS2R14MEN1KMT2ADAGLA
SCHEMBL5295487 0.73 TAS2R14 (0.64) HSD11B1TAS2R14MEN1KMT2AKEAP1
SCHEMBL1951391 0.73 HSD11B1 (0.56) PTPN1HSD11B1TAS2R14MEN1KMT2A
SCHEMBL8064181 0.73 MAPT (0.54) PTPN1TAS2R14MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 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-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 PTPN1 2903/4885MMP1 369/4885BMP1 873/4885

“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.