SCHEMBL3212925

SCHEMBL3212925

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSS P25774 1/20 0.48
FFAR4 Q5NUL3 1/20 0.45
CXCR3 P49682 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LCAT P04180 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM4 P08173 1/20 0.42
ELOVL6 Q9H5J4 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DGAT1 O75907 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
SCHEMBL3219201 0.88 MAPT (0.50) ADRB1MAPTKDM4EALDH1A1CTSS
SCHEMBL3207424 0.83 L3MBTL1 (0.63) KDM4EL3MBTL1ELOVL6DGAT1
SCHEMBL3220012 0.75 HSD11B1 (0.69)
SCHEMBL12095612 0.75 ELOVL6 (0.47) ELOVL6
SCHEMBL31061322 0.74 ADRB1 (0.55) ADRB1MAPTKDM4EALDH1A1CTSS
SCHEMBL1350579 0.73 ADRB1 (0.64) ADRB1MAPTKDM4EALDH1A1FFAR4
SCHEMBL3216395 0.73 GPR119 (0.55) KDM4EL3MBTL1DGAT1
SCHEMBL3218002 0.73 GPR119 (0.52) KDM4ECTSSL3MBTL1ELOVL6DGAT1
SCHEMBL3613226 0.72 KDM4E (0.74) ADRB1MAPTKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2000843 0.72 ADRB1 (0.62) ADRB1MAPTKDM4EALDH1A1FFAR4

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 ADRB1 262/4885MAPT 3352/4885KDM4E 1296/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 ADRB1 186/4885MAPT 3097/4885KDM4E 1360/4885

“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.