SCHEMBL2952822

SCHEMBL2952822

CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL29953991 0.91 RXFP1 (0.43) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12116536 0.91 RXFP1 (0.43) MEN1KMT2ANPC1GAARAB9A
SCHEMBL4689617 0.84 AAK1 (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29662262 0.82 IDO1 (0.54) MEN1KMT2ANPC1GAARAB9A
SCHEMBL19002107 0.82 MEN1 (0.43) MEN1KMT2ANPC1GAARAB9A
SCHEMBL367901 0.82 IDO1 (0.54) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1008543 0.81 LMNA (0.47) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29525132 0.81 LMNA (0.47) MEN1KMT2ANPC1GAARAB9A
SCHEMBL593832 0.81 MEN1 (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12596121 0.81 RXFP1 (0.43) MEN1KMT2ANPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US claimed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 WO claimed
US-7767817-B2 Water soluble boronic acid fluorescent reporter compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-03 US disclosed
US-7714127-B2 Process for making heteroaryl amine intermediate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-7714127-B2 Process for making heteroaryl amine intermediate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
EP-1409460-B1 NOVEL SYNTHESIS OF HETEROARYLAMINE INTERMEDIATE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-24 EP disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
US-20070105857-A1 Process for Making Heteroaryl Amine Intermediate Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2007-05-10 US disclosed
US-20070105857-A1 Process for Making Heteroaryl Amine Intermediate Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2007-05-10 US disclosed
WO-2007044490-A2 PROCESS FOR MAKING HETEROARYL AMINE INTERMEDIATE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 WO disclosed
US-7022883-B2 Preparation of aryl intermediates BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-04 US disclosed
EP-1565477-A1 PREPARATION OF ARYL INTERMEDIATE COMPOUNDS USING TRIALKYLMAGNESATE REAGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-24 EP disclosed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 WO disclosed
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
WO-2004048389-A1 PREPARATION OF ARYL INTERMEDIATES COMPOUNDS USING TRIALKYLMAGNESATE REAGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-10 WO disclosed
US-20040106807-A1 Preparation of aryl intermediates BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-28 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-20040106807-A1 Preparation of aryl intermediates CYP1A1, CYP1B1, UGT1A1 MEN1 2450/4885KMT2A 1821/4885NPC1 677/4885
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds NFKBIA, MPO, RELA MEN1 3850/4885KMT2A 3421/4885NPC1 1708/4885
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 MEN1 1304/4885KMT2A 3814/4885NPC1 166/4885
US-20070105857-A1 Process for Making Heteroaryl Amine Intermediate Compounds MAOB, MAOA, CYP1B1 MEN1 138/4885KMT2A 1632/4885NPC1 372/4885

“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.