SCHEMBL4486904

SCHEMBL4486904

O=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.67
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL3210332 0.86 HSD11B1 (0.68) HSD11B1TRPV1
SCHEMBL3209159 0.85 HSD11B1 (0.53) HSD11B1TRPV1
SCHEMBL3217891 0.85 HSD11B1 (0.52) HSD11B1TRPV1
SCHEMBL3221195 0.85 HSD11B1 (0.70) HSD11B1NPSR1HSD17B10
SCHEMBL3221211 0.85 HSD11B1 (0.65) HSD11B1TRPV1
SCHEMBL3207553 0.84 HSD11B1 (0.50) HSD11B1TRPV1
SCHEMBL3216021 0.84 HSD11B1 (0.67) HSD11B1TRPV1
SCHEMBL3223132 0.83 HSD11B1 (0.66) HSD11B1TRPV1
SCHEMBL3213169 0.80 HSD11B1 (1.00) HSD11B1
SCHEMBL3216358 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885NPSR1 1342/4885HSD17B10 17/4885

“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.