SCHEMBL5039573

SCHEMBL5039573

COc1ccnc(OC)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
IKBKB O14920 1/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACHE P22303 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL29956241 1.00 ENPP2 (0.39) ENPP2IKBKBORAI1ORAI2ORAI3
SCHEMBL16225239 0.81 CCR1 (0.33) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL29951146 0.81 CCR1 (0.33) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL2657700 0.81 ENPP2 (0.39) ENPP2IKBKBORAI1ORAI2ORAI3
SCHEMBL4702995 0.81 ENPP2 (0.39) ENPP2IKBKBORAI1ORAI2ORAI3
SCHEMBL29950703 0.79 NFE2L2 (0.33) ENPP2L3MBTL1MAPK1MAPTKMT2A
SCHEMBL29953746 0.79 ENPP2 (0.38) ENPP2IKBKBORAI1ORAI2ORAI3
SCHEMBL31016790 0.79 ENPP2 (0.38) ENPP2IKBKBORAI1ORAI2ORAI3
SCHEMBL29954528 0.75 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPK1MAPTKMT2A
SCHEMBL29953805 0.75 SLC22A12 (0.40) MAPT

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
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20050004151-A1 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004106296-A2 TRISUBSTITUTED HETEROAROMATIC COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO 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-20050004151-A1 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators CASR, CALCR, VDR ENPP2 569/4885IKBKB 1758/4885ORAI1 36/4885

“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.