SCHEMBL29946155

SCHEMBL29946155

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 9/20 1.00
ORAI1 Q96D31 9/20 1.00
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
STS P08842 2/20 0.49
CSNK1D P48730 1/20 0.48
MAPK14 Q16539 1/20 0.48
MIF P14174 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
GPR142 Q7Z601 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LDHA P00338 1/20 0.45
P2RY14 Q15391 1/20 0.45

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
SCHEMBL26628301 1.00 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL26628287 0.92 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2MIF
SCHEMBL29946171 0.92 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2MIF
SCHEMBL26628321 0.89 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL29946234 0.89 STIM1 (1.00) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL1430051 0.89 STIM1 (0.80) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL29946271 0.87 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL26628306 0.87 STIM1 (0.85) STIM1ORAI1KEAP1NFE2L2STS
SCHEMBL29946185 0.85 STIM1 (0.86) STIM1ORAI1KEAP1NFE2L2CA12
SCHEMBL26628275 0.85 STIM1 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.