SCHEMBL1898008

SCHEMBL1898008

OCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
SOD1 P00441 1/20 0.45
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PDK2 Q15119 1/20 0.40
IDO1 P14902 2/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
CES2 O00748 1/20 0.39
SCN9A Q15858 4/20 0.38
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPBAR1 Q8TDU6 1/20 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
SCHEMBL13699131 0.89 APP (0.41) GPR84SOD1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13699113 0.89 APP (0.41) GPR84SOD1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13699127 0.87 TP53 (0.44) GPR84SOD1ALDH1A1RECQLCYP3A4
SCHEMBL16493151 0.87 NOTUM (0.41) GPR84SOD1ALDH1A1RECQLCYP3A4
SCHEMBL8955457 0.86 PDK2 (0.43) GPR84SOD1PDK2IDO1RHOC
SCHEMBL15519689 0.86 PDK2 (0.43) GPR84SOD1PDK2IDO1RHOC
SCHEMBL9248280 0.86 PDK2 (0.43) GPR84SOD1PDK2IDO1RHOC
SCHEMBL2097371 0.83 SOD1 (0.47) GPR84SOD1ALDH1A1RXRARXRB
SCHEMBL585718 0.81 L3MBTL1 (0.59) ALDH1A1RECQLL3MBTL1
SCHEMBL7245417 0.79 GPR84 (0.45) GPR84SOD1ALDH1A1RXRARXRB

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 39 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-20240254093-A1 GPR35 Agonist Compounds NXERA PHARMA UK LIMITED (GB) 2024-08-01 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 EP 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
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO 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-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 US disclosed
US-9359359-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2016-06-07 US disclosed
EP-2970303-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF Hydra Biosciences, Inc. (US) 2016-01-20 EP disclosed
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 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-20140275071-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
WO-2011059821-A2 CYCLOHEXANE-1,3-DIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 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 (7 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-20240254093-A1 GPR35 Agonist Compounds GPR35, GPR119, GPR68 GPR84 14/4885SOD1 4074/4885ALDH1A1 1962/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 1647/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 1647/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 1647/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 1647/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 1647/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 GPR84 1816/4885SOD1 2420/4885ALDH1A1 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.