SCHEMBL22264963

SCHEMBL22264963

CC(Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LIPG Q9Y5X9 4/20 0.41
▸ LPL P06858 3/20 0.41
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ P4HB P07237 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL22264962 1.00 CYP1A2 (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL22264805 0.86 ALDH2 (0.41) LIPGLPLALDH1A1HPGDKDM4E
SCHEMBL22273380 0.86 ALDH2 (0.41) LIPGLPLALDH1A1HPGDKDM4E
SCHEMBL18343416 0.84 OGG1 (0.41) LIPGLPLALDH1A1HPGDKDM4E
SCHEMBL31188697 0.84 CYP1A2 (0.51) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL15376138 0.84 LIPG (0.46) GAALIPGLPLALDH1A1KDM4E
SCHEMBL4106141 0.83 LIPG (0.39) LIPGLPLP4HBCA1CA2
SCHEMBL28654967 0.82 LIPG (0.42) LIPGLPLP4HBCA1CA2
SCHEMBL25330900 0.81 LIPG (0.44) LIPGLPLCA1CA2CA9
SCHEMBL25330897 0.81 LIPG (0.44) LIPGLPLCA1CA2CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 — — EP disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-20210380590-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2021-12-09 — — US disclosed
EP-3914256-A1 GPR35 MODULATORS Prometheus Biosciences, Inc. (US) 2021-12-01 — — EP disclosed
CN-113631168-A GPR35 modulators 普罗米修斯生物科学公司 2021-11-09 — — CN disclosed
US-11053251-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2021-07-06 — — US disclosed
WO-2020154492-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2020-07-30 — — WO disclosed
US-20200239476-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2020-07-30 — — US 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-20210380590-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 CYP1A2 1872/4885GAA 1742/4885CYP2C9 3236/4885
US-11053251-B2 GPR35 modulators GPR35, GPR55, GPR65 CYP1A2 1872/4885GAA 1742/4885CYP2C9 3236/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 CYP1A2 1872/4885GAA 1742/4885CYP2C9 3236/4885
US-20200239476-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 CYP1A2 1872/4885GAA 1742/4885CYP2C9 3236/4885

“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.

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