SCHEMBL28085559

SCHEMBL28085559

OB(O)Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.44
HSPB1 P04792 1/20 0.44
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
SCN4A P35499 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL330747 0.93 ORAI1 (0.46) SOS1HSPB1ORAI1ORAI2ORAI3
Ammonia Solution, Strong SCHEMBL29013466 0.91 ORAI1 (0.44) SOS1HSPB1ORAI1ORAI2ORAI3
SCHEMBL21805853 0.91 ORAI1 (0.44) SOS1HSPB1ORAI1ORAI2ORAI3
SCHEMBL21143591 0.91 ORAI1 (0.44) SOS1HSPB1ORAI1ORAI2ORAI3
SCHEMBL27678323 0.91 ORAI1 (0.44) SOS1HSPB1ORAI1ORAI2ORAI3
SCHEMBL27765066 0.91 ORAI1 (0.44) SOS1HSPB1ORAI1ORAI2ORAI3
Water SCHEMBL28143792 0.88 ORAI1 (0.42) SOS1HSPB1ORAI1ORAI2ORAI3
SCHEMBL1989896 0.86 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6SCN4A
SCHEMBL29222009 0.81 ORAI1 (0.37) ORAI1ORAI2ORAI3TRPV6SCN4A
SCHEMBL29441920 0.81 CA1 (0.44) CA1CA2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384786-B2 Cyclic molecules as Bruton's tyrosine kinase inhibitor MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2025-08-12 US disclosed
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2022-03-17 US disclosed
CN-106459049-A Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2017-02-22 CN disclosed
CN-104844609-B The irreversible bruton's tyrosine kinase inhibitor of dibit point 杭州和正医药有限公司 2016-07-13 CN 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 (2 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-12384786-B2 Cyclic molecules as Bruton's tyrosine kinase inhibitor ABL1, BTK, LYN SOS1 489/4885HSPB1 2018/4885ORAI1 2343/4885
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR ABL1, BTK, LYN SOS1 489/4885HSPB1 2018/4885ORAI1 2343/4885

“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.