SCHEMBL8551002

SCHEMBL8551002

CC(OS(C)(=O)=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
CNR2 P34972 4/20 0.40
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.37
FFAR2 O15552 1/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KIF11 P52732 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 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
SCHEMBL20874449 0.82 CA1 (0.47) ADRB2CNR2BRD4FFAR2IDO1
SCHEMBL17789740 0.82 ALDH1A1 (0.41) CNR2ALDH1A1TDP1CA1CA2
SCHEMBL2303018 0.80 ALDH1A1 (0.39) ALDH1A1CA1CA2CA9
SCHEMBL16726995 0.80 ALDH1A1 (0.39) CNR2ALDH1A1IDO1TDO2TSHR
SCHEMBL15687372 0.80 ENPP2 (0.43) ALDH1A1TSHR
SCHEMBL18243673 0.80 ALDH1A1 (0.39) CNR2ALDH1A1IDO1TDO2TSHR
SCHEMBL18504414 0.80 ALDH1A1 (0.39) ALDH1A1CA1CA2CA9
SCHEMBL3923775 0.80 ALDH1A1 (0.39) ALDH1A1IDO1TDO2CA1CA2
SCHEMBL8115614 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1
SCHEMBL8241125 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
WO-2014143799-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 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 (9 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-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ADRB2 213/4885CNR2 24/4885ALDH1A1 2949/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADRB2 1159/4885CNR2 703/4885ALDH1A1 1647/4885

“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.