SCHEMBL22273380

SCHEMBL22273380

COC(=O)[C@@H](C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.41
▸ KLK7 P49862 1/20 0.40
▸ LIPG Q9Y5X9 3/20 0.39
▸ LPL P06858 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ F9 P00740 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ OGG1 O15527 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL22264805 1.00 ALDH2 (0.41) ALDH2KLK7LIPGLPLALDH1A1
SCHEMBL22264962 0.86 CYP1A2 (0.44) LIPGLPLALDH1A1HPGDHIF1A
SCHEMBL22264963 0.86 CYP1A2 (0.44) LIPGLPLALDH1A1HPGDHIF1A
SCHEMBL18343416 0.85 OGG1 (0.41) LIPGLPLALDH1A1HPGDHIF1A
SCHEMBL6312527 0.84 LIPG (0.42) LIPGLPLALDH1A1HIF1ATSHR
SCHEMBL15376138 0.82 LIPG (0.46) LIPGLPLALDH1A1HIF1AMEN1
SCHEMBL18241160 0.80 PTGS1 (0.50) LIPGLPLHPGDHIF1AMEN1
SCHEMBL28654967 0.80 LIPG (0.42) LIPGLPLHIF1AAAK1CA1
SCHEMBL25330900 0.78 LIPG (0.44) LIPGLPLHIF1AAAK1CA1
SCHEMBL25330897 0.78 LIPG (0.44) LIPGLPLHIF1AAAK1CA1

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-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US 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
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 ALDH2 1378/4885KLK7 2668/4885LIPG 784/4885
US-11053251-B2 GPR35 modulators GPR35, GPR55, GPR65 ALDH2 1378/4885KLK7 2668/4885LIPG 784/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 ALDH2 1378/4885KLK7 2668/4885LIPG 784/4885
US-20200239476-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 ALDH2 1378/4885KLK7 2668/4885LIPG 784/4885

“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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