SCHEMBL3215041

SCHEMBL3215041

O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cccc(F)c2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
PKLR P30613 1/20 0.65
HSD11B1 P28845 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
RECQL P46063 1/20 0.59
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
MCOLN3 Q8TDD5 3/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL3201922 0.85 HSD11B1 (0.69) HSD11B1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3222852 0.83 HSD11B1 (0.74) PKMPKLRHSD11B1MEN1KMT2A
SCHEMBL3209230 0.82 HSD11B1 (0.57) PKMHSD11B1SMN1; SMN2TSHRLMNA
SCHEMBL3205817 0.81 HSD11B1 (0.76) HSD11B1MEN1KMT2ATSHRLMNA
SCHEMBL3209913 0.80 HSD11B1 (0.72) PKMPKLRHSD11B1MEN1KMT2A
SCHEMBL2238247 0.79 PKM (1.00) PKMPKLRMEN1KMT2ASMN1; SMN2
SCHEMBL3219662 0.79 PKM (0.63) PKMPKLRMEN1KMT2ASMN1; SMN2
SCHEMBL3221923 0.78 ALDH1A1 (0.52) PKMHSD11B1MEN1KMT2ASMN1; SMN2
SCHEMBL3209949 0.77 MCOLN3 (0.58) PKMPKLRHSD11B1MEN1KMT2A
SCHEMBL18134604 0.77 MCOLN3 (0.83) PKMPKLRMEN1KMT2ASMN1; SMN2

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 PKM 2924/4885PKLR 2238/4885HSD11B1 1/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 PKM 2798/4885PKLR 1888/4885HSD11B1 1/4885

“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.