SCHEMBL5899440

SCHEMBL5899440

O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HSD11B1 P28845 1/20 0.59
CXCR3 P49682 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.52
PTGES O14684 1/20 0.52
MEP1A Q16819 1/20 0.52
MEP1B Q16820 1/20 0.52
CNR2 P34972 1/20 0.51

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
SCHEMBL5899445 0.90 TAS2R14 (0.66) TAS2R14MEN1KMT2ACXCR3ALDH1A1
SCHEMBL5899564 0.89 HSD11B1 (0.51) TAS2R14MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL5899551 0.87 TAS2R14 (0.56) TAS2R14MEN1KMT2AALDH1A1MAPT
SCHEMBL5899442 0.87 PTPN1 (0.57) TAS2R14MEN1KMT2AHSD11B1
SCHEMBL5295487 0.85 TAS2R14 (0.64) TAS2R14MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL984791 0.81 TAS2R14 (0.71) TAS2R14MEN1KMT2AHSD11B1CXCR3
SCHEMBL2845552 0.80 MEP1B (0.68) TAS2R14MEN1KMT2AALDH1A1MAPT
SCHEMBL4540959 0.79 MEN1 (0.64) TAS2R14MEN1KMT2ACXCR3ALDH1A1
SCHEMBL3814018 0.79 TAS2R14 (0.73) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1278616 0.78 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES

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 TAS2R14 4454/4885MEN1 1269/4885KMT2A 1509/4885

“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.