SCHEMBL1726025

SCHEMBL1726025

CCCCCB(O)OB(O)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
TSHR P16473 3/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PCSK9 Q8NBP7 1/20 0.32
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL5487541 0.92 ANPEP (0.55) ANPEPTSHRTHRBSMN1; SMN2LMNA
SCHEMBL17287861 0.81
SCHEMBL16521392 0.79 ANPEP (0.42) ANPEPTSHRTHRBSMN1; SMN2LMNA
SCHEMBL9561943 0.79
SCHEMBL10584179 0.79
SCHEMBL21154909 0.77 ANPEP (0.40) ANPEPTSHRTHRBLMNAALDH1A1
SCHEMBL254277 0.75 ANPEP (0.39) ANPEPTSHRTHRBSMN1; SMN2ALDH1A1
SCHEMBL8522636 0.75 ANPEP (0.39) ANPEPTSHRSMN1; SMN2CES2CES1
SCHEMBL2053711 0.75 ANPEP (0.39) ANPEPTSHRTHRBSMN1; SMN2
SCHEMBL14354252 0.75 ANPEP (0.39) ANPEPTSHRTHRBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10293048-B2 Pharmaceutical compositions comprising boronic acid compounds DR. REDDY'S LABORATORIES LIMITED (IN) 2019-05-21 US disclosed
EP-2819673-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS REDDYS LAB LTD DR (IN) 2016-09-07 EP disclosed
US-20150051172-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS DR. REDDY'S LABORATORIES LIMITED (IN) 2015-02-19 US disclosed
EP-2819673-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS Dr. Reddy's Laboratories Ltd. (IN) 2015-01-07 EP disclosed
WO-2013128419-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS DR. REDDY'S LABORATORIES LIMITED (IN) 2013-09-06 WO disclosed
US-20110178470-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS DR. REDDY'S LABORATORIES LTD. (IN) 2011-07-21 US disclosed
EP-2344165-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS Dr. Reddy's Laboratories, Ltd. (IN) 2011-07-20 EP disclosed
WO-2010039762-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS DR. REDDY'S LABORATORIES LTD. (IN) 2010-04-08 WO disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 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 (4 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-10293048-B2 Pharmaceutical compositions comprising boronic acid compounds MALT1, BCL6, BCL6B ANPEP 4054/4885TSHR 3420/4885THRB 635/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ANPEP 2357/4885TSHR 2980/4885THRB 4059/4885
US-20150051172-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS MALT1, BCL6, BCL6B ANPEP 4054/4885TSHR 3420/4885THRB 635/4885
US-20110178470-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BORONIC ACID COMPOUNDS BCL6, BBC3, RB1 ANPEP 3875/4885TSHR 4238/4885THRB 3304/4885

“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.