SCHEMBL12266159

SCHEMBL12266159

CCc1cccc(B(O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.54
ORAI1 Q96D31 2/20 0.54
ORAI2 Q96SN7 2/20 0.54
ORAI3 Q9BRQ5 2/20 0.54
PCSK9 Q8NBP7 2/20 0.54
TP53 P04637 1/20 0.48
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
ENPP2 Q13822 2/20 0.46
BCL2 P10415 1/20 0.41
KAT6A Q92794 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12266165 0.87 ORAI1 (0.55) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL692342 0.82 ENPP2 (0.67) TP53LPLLIPGENPP2ALDH1A1
SCHEMBL12270775 0.82 LPL (0.61) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL14135196 0.81 LPL (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12318713 0.80 ORAI1 (0.48) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL3282237 0.79 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2406124 0.79 TRPV6 (0.78) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12266207 0.79 SIGMAR1 (0.43) TP53LPLLIPGENPP2CYP1A2
SCHEMBL14135249 0.79 S1PR1 (0.40) TRPV6ORAI1ORAI2ORAI3LPL
SCHEMBL12266170 0.79 S1PR1 (0.40) TRPV6ORAI1ORAI2ORAI3LPL

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 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 (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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TRPV6 61/4885ORAI1 58/4885ORAI2 414/4885

“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.