SCHEMBL29946271

SCHEMBL29946271

COc1ccc(-c2ccc(-c3cn(-c4cccc(C(=O)O)c4)nn3)cc2)c(OC)c1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.85
ORAI1 Q96D31 8/20 0.85
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
DAGLB Q8NCG7 1/20 0.49
GPR142 Q7Z601 1/20 0.48
SNCA P37840 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
STS P08842 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LDHA P00338 1/20 0.46

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
SCHEMBL26628306 1.00 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL29946234 0.92 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628321 0.92 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL29946140 0.92 STIM1 (0.77) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628278 0.92 STIM1 (0.77) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL1430051 0.90 STIM1 (0.80) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628283 0.89 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2MAOA
SCHEMBL29946183 0.89 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2MAOA
SCHEMBL29946155 0.87 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628301 0.87 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106871-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF Università degli Studi del Piemonte Orientale "Amedeo Avogadro" (IT) 2022-12-28 EP claimed
CN-115243765-A Biphenyl compounds as SOCE modulators, compositions and uses thereof 皮埃蒙特阿米阿伏伽德罗东方大学 2022-10-25 CN claimed
US-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2023-11-02 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 (1 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-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF ORAI1, SARAF, STIM1 STIM1 3/4885ORAI1 1/4885KEAP1 1857/4885

“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.