SCHEMBL16892828

SCHEMBL16892828

Cc1ccc(S(=O)(=O)O)c(C2COC(C)(C)OC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
ELAVL1 Q15717 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL5792421 0.85 ALDH1A1 (0.35) GAAHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL2565711 0.83 L3MBTL1 (0.32) GAAALDH1A1POLBKMT2AL3MBTL1
SCHEMBL9101971 0.80 PTGDR2 (0.39) GAAHSD17B10HCRTR1HCRTR2KDM4E
SCHEMBL16712212 0.80 CHRNB2 (0.43) GAAHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL28909489 0.79 HSD11B1 (0.33) GAAHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL28571617 0.79 HTT (0.44) ALDH1A1POLBMAPTKMT2A
SCHEMBL28571618 0.79 HTT (0.44) ALDH1A1POLBMAPTKMT2A
SCHEMBL7796621 0.78 CHRNB2 (0.37) GAAHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL29612032 0.78 MPL (0.34) GAAHSD17B10HCRTR1HCRTR2KDM4E
SCHEMBL30764027 0.77 PTGDR2 (0.43) HCRTR1HCRTR2L3MBTL1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894151-B1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-11 EP disclosed
US-9895355-B2 Methods of treating androgen receptor-mediated disorders with imidazoline derivatives Shanghai Hengru Pharmaceutical Co., Ltd. (CN) 2018-02-20 US disclosed
US-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES Shanghai hengrui pharmaceutical co ltd (CN) 2017-05-11 US disclosed
US-9586947-B2 Imidazoline derivatives, preparation methods thereof, and their applications in medicine SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-03-07 US disclosed
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-08-13 US disclosed
EP-2894151-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2015-07-15 EP 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-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES NR5A1, ESRRA, ESRRB GAA 2756/4885HSD17B10 81/4885HCRTR1 2127/4885
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE AR, KLK3, NR5A1 GAA 3921/4885HSD17B10 1389/4885HCRTR1 4411/4885

“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.