SCHEMBL26628313

SCHEMBL26628313

O=C(O)c1cccc(-c2cn(-c3ccc(-c4ccc5c(c4)OCO5)cc3)nn2)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 9/20 0.88
ORAI1 Q96D31 9/20 0.88
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
LDHA P00338 2/20 0.53
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
OPRD1 P41143 1/20 0.46
P2RY14 Q15391 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OGT O15294 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
SCHEMBL29946195 1.00 STIM1 (0.88) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL29946096 0.94 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL26628296 0.94 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL26628303 0.92 STIM1 (0.74) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL29946204 0.92 STIM1 (0.74) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL26628274 0.85 STIM1 (0.84) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL29946184 0.85 STIM1 (0.84) STIM1ORAI1KEAP1NFE2L2AURKA
SCHEMBL26628304 0.85 STIM1 (0.76) STIM1ORAI1KEAP1NFE2L2CA1
SCHEMBL29946192 0.85 STIM1 (0.76) STIM1ORAI1KEAP1NFE2L2CA1
SCHEMBL29946172 0.82 STIM1 (0.72) STIM1ORAI1KEAP1NFE2L2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106871-B1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF UNIV DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO (IT) 2024-03-13 EP 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 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
EP-4106871-B1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF UNIV DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO (IT) 2024-03-13 EP disclosed
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
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
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.