SCHEMBL499843

SCHEMBL499843

Cc1ccc(S(=O)(=O)OCCOCC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 5/20 0.41
AGER Q15109 1/20 0.39
STAT3 P40763 1/20 0.38
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
VDR P11473 1/20 0.36
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 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
SCHEMBL23611534 0.86 CA9 (0.43) CA12CA1CA9ALDH1A1STAT3
SCHEMBL336511 0.85 AGER (0.44) CA12CA1CA9ALDH1A1AGER
SCHEMBL881292 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL4379133 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL18613994 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL18644929 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL478342 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL1145153 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL922407 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3
SCHEMBL12865316 0.85 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461762-B Glucopyranosyl derivatives and its application in medicine 广东东阳光药业有限公司 2018-12-04 CN disclosed
EP-2312944-B1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-09-05 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-2187742-B1 (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-BENZYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES THERACOS SUB LLC (US) 2017-10-25 EP disclosed
EP-2187742-B1 (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-BENZYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES THERACOS SUB LLC (US) 2017-10-25 EP disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
WO-2010009243-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-01-21 WO disclosed
WO-2010009243-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-01-21 WO 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
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 (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-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 CA12 1370/4885CA1 2818/4885CA9 452/4885
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A1, SLC5A2, SLC2A4 CA12 881/4885CA1 2206/4885CA9 388/4885

“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.