SCHEMBL499508

SCHEMBL499508

Cc1ccc(S(=O)(=O)OCCOCCF)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AGER Q15109 1/20 0.38
CYP24A1 Q07973 1/20 0.37
VDR P11473 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37

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
SCHEMBL484303 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA9STAT3
SCHEMBL18644929 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL12865316 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL922407 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL1145153 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL881292 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL4379133 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL18613994 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL478342 0.91 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL71840 0.90 GAA (0.45) ALDH1A1CA12CA1CA9STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709373-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2026-03-18 EP disclosed
EP-3814356-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2026-03-11 EP disclosed
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
WO-2025085387-A1 SUBSTITUTED-ALKENYL-INDAZOLES FOR IMAGING AGGREGATED TAU IN TAUOPATHIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2025-04-24 WO disclosed
WO-2024233875-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-11-14 WO disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 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
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 (5 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 ALDH1A1 722/4885CA12 1370/4885CA1 2818/4885
US-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 ALDH1A1 1769/4885CA12 3430/4885CA1 2223/4885
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 571/4885CA12 3149/4885CA1 1788/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO ALDH1A1 3189/4885CA12 3322/4885CA1 323/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 ALDH1A1 873/4885CA12 3845/4885CA1 3843/4885

“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.