SCHEMBL500109

SCHEMBL500109

Cc1ccc(S(=O)(=O)OCC#CC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
HTR6 P50406 1/20 0.39
STAT3 P40763 1/20 0.38
GAA P10253 1/20 0.37
CRBN Q96SW2 1/20 0.37
G6PD P11413 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
VDR P11473 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7644858 0.85 GAA (0.46) CYP2D6CYP1A2STAT3GAAG6PD
SCHEMBL542839 0.82 GAA (0.43) CYP2D6CYP1A2ENPP3ENPP1ENPP2
SCHEMBL4801283 0.80 CYP1A2 (0.44) CYP2D6CYP1A2STAT3GAAG6PD
SCHEMBL30831041 0.80 GPR119 (0.50) MEN1KMT2A
SCHEMBL7456678 0.79 GAA (0.41) CYP2D6CYP1A2STAT3GAAALDH1A1
SCHEMBL1603835 0.79 GAA (0.41) CYP2D6CYP1A2STAT3GAAALDH1A1
SCHEMBL16344942 0.79 GAA (0.41) CYP2D6CYP1A2STAT3GAAALDH1A1
SCHEMBL7457487 0.79 GAA (0.41) CYP2D6CYP1A2STAT3GAAALDH1A1
SCHEMBL1117279 0.78 GAA (0.43) CYP2D6CYP1A2STAT3GAAALDH1A1
SCHEMBL15437861 0.78 HTR6 (0.41) CYP1A2HTR6GAAALDH1A1CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-20120329732-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2012-12-27 US disclosed
US-20120329732-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2012-12-27 US disclosed
US-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2011-08-25 US disclosed
US-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2011-08-25 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
EP-2187742-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2010-05-26 EP disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 WO 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 (4 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-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CYP2D6 341/4885CYP1A2 585/4885ENPP3 2614/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CYP2D6 341/4885CYP1A2 585/4885ENPP3 2614/4885
US-20120329732-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CYP2D6 341/4885CYP1A2 585/4885ENPP3 2614/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CYP2D6 341/4885CYP1A2 585/4885ENPP3 2614/4885

“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.