SCHEMBL3219201

SCHEMBL3219201

CC(C)(C)c1ccc(S(=O)(=O)C2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ADRB1 P08588 1/20 0.49
CTSS P25774 1/20 0.47
CXCR3 P49682 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
DGAT1 O75907 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HSD11B1 P28845 1/20 0.41
LCAT P04180 2/20 0.41
CCR7 P32248 1/20 0.41
CCR6 P51684 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LRRK2 Q5S007 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL3212925 0.88 ADRB1 (0.50) MAPTKDM4EALDH1A1ADRB1CTSS
SCHEMBL3207477 0.84 GPR119 (0.61) MAPTKDM4EALDH1A1CXCR3GPR119
SCHEMBL3602829 0.78 KDM4E (0.67) MAPTKDM4EALDH1A1HSD11B1
SCHEMBL3219566 0.77 HSD11B1 (0.70) HSD11B1
SCHEMBL3214405 0.74 HSD11B1 (0.52) HRH3HSD11B1
SCHEMBL3613226 0.74 KDM4E (0.74) MAPTKDM4EALDH1A1ADRB1HSD11B1
SCHEMBL3198929 0.74 HSD11B1 (0.67) CTSSHSD11B1
SCHEMBL31061322 0.73 ADRB1 (0.55) MAPTKDM4EALDH1A1ADRB1CTSS
SCHEMBL3207424 0.73 L3MBTL1 (0.63) KDM4EGPR119DGAT1
SCHEMBL3210172 0.73 HSD11B1 (0.51) HSD11B1

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 MAPT 3352/4885KDM4E 1296/4885ALDH1A1 116/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MAPT 3097/4885KDM4E 1360/4885ALDH1A1 123/4885

“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.