SCHEMBL13489663

SCHEMBL13489663

CS(=O)(=O)N1CCC(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 8/20 0.43
PTK2 Q05397 1/20 0.42
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3198998 0.82 TRPV1 (0.48) TRPV1LMNAKMT2AHSD11B1
SCHEMBL3205481 0.81 HSD11B1 (0.67) TRPV1KMT2AHSD11B1
SCHEMBL3213867 0.81 KMT2A (0.51) TRPV1KMT2AHSD11B1POLB
SCHEMBL3212924 0.81 HSD11B1 (0.65) TRPV1LMNAHSD11B1
SCHEMBL1690182 0.80 TRPV1 (0.53) TRPV1HSD11B1
SCHEMBL3224328 0.79 HSD11B1 (0.67) TRPV1LMNAKMT2AHSD11B1POLB
SCHEMBL3213922 0.78 HSD11B1 (0.67) LMNAKMT2AHSD11B1POLB
SCHEMBL1459053 0.77 TRPV1 (0.66) TRPV1HSD11B1
SCHEMBL5528542 0.75 TRPV1 (0.50) TRPV1KMT2A
SCHEMBL27885427 0.75 TRPV1 (0.54) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 TRPV1 4793/4885NPSR1 2139/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 TRPV1 4707/4885NPSR1 1342/4885LMNA 3681/4885

“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.