SCHEMBL2404895

SCHEMBL2404895

Cc1ccc(B(O)c2ccc(Oc3ccc(B(O)c4ccc(C)c(Cl)c4)cc3)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.41
ORAI2 Q96SN7 2/20 0.41
ORAI3 Q9BRQ5 2/20 0.41
TRPV6 Q9H1D0 2/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.37
CHEK2 O96017 1/20 0.36
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ENPP2 Q13822 2/20 0.33
TTR P02766 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1138689 0.87 CYP3A4 (0.46) ORAI1ORAI2ORAI3TRPV6CA2
SCHEMBL12270711 0.84 ORAI1 (0.61) ORAI1ORAI2ORAI3TRPV6CA2
SCHEMBL257894 0.83 CA2 (0.52) CA1CA2HTR2ASLC6A4KCNH2
SCHEMBL5166435 0.82 TRPV6 (0.57) ORAI1ORAI2ORAI3TRPV6CYP3A4
SCHEMBL1138415 0.82 ORAI1 (0.43) ORAI1ORAI2ORAI3TRPV6CYP3A4
SCHEMBL17698482 0.81 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6CA2
SCHEMBL2407446 0.80 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL3275771 0.79 ORAI1 (0.37) ORAI1ORAI2ORAI3TRPV6CYP3A4
SCHEMBL12270552 0.78 S1PR1 (0.40) ORAI1ORAI2ORAI3TRPV6CYP3A4
SCHEMBL12266156 0.78 LPL (0.48) ORAI1ORAI2ORAI3TRPV6CYP3A4

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
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885

“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.