SCHEMBL29946215

SCHEMBL29946215

COc1ccc(OC)c(-c2ccc(-n3cc(-c4ccnc(C(=O)O)c4)nn3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 7/20 0.66
ORAI1 Q96D31 7/20 0.66
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
SNCA P37840 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1B1 Q16678 1/20 0.43
KMO O15229 1/20 0.42

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
SCHEMBL26628285 1.00 STIM1 (0.66) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL29946178 0.92 STIM1 (0.71) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL26628291 0.92 STIM1 (0.71) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL26628326 0.91 STIM1 (0.59) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL30093117 0.91 STIM1 (0.59) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL29946082 0.85 STIM1 (0.85) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL26628302 0.85 STIM1 (0.85) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL29946093 0.83 STIM1 (0.65) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL26628297 0.83 STIM1 (0.65) STIM1ORAI1PTGS2PTGS1CA1
SCHEMBL26628307 0.83 STIM1 (0.63) STIM1ORAI1PTGS2PTGS1CA1

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 1/4885PTGS2 579/4885

“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.