SCHEMBL2299502

SCHEMBL2299502

O=C(O)[C@@H]1C[C@@H](Oc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AGTR2 P50052 4/20 0.46
POLB P06746 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
HTR2C P28335 1/20 0.42
PREP P48147 1/20 0.42

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
SCHEMBL7338874 0.93 MCL1 (0.47) NPC1RAB9ASMN1; SMN2AGTR2POLB
SCHEMBL7338869 0.93 MCL1 (0.47) NPC1RAB9ASMN1; SMN2AGTR2POLB
SCHEMBL7346785 0.92 AGTR2 (0.46) NPC1RAB9ASMN1; SMN2AGTR2POLB
SCHEMBL9570543 0.89 LMNA (0.46)
SCHEMBL9570545 0.89 LMNA (0.46)
SCHEMBL7342091 0.89 BDKRB2 (0.45) NPC1RAB9ASMN1; SMN2AGTR2POLB
SCHEMBL7342093 0.89 BDKRB2 (0.45) NPC1RAB9ASMN1; SMN2AGTR2POLB
SCHEMBL7015458 0.88 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBHTR2C
SCHEMBL2298566 0.88 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBHTR2C
SCHEMBL7015459 0.88 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBHTR2C

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
EP-1997823-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-6548668-B2 Stabilizer for proteins MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-11-21 US disclosed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 US disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 US disclosed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 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 (5 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885SMN1; SMN2 960/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885SMN1; SMN2 960/4885
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B NPC1 737/4885RAB9A 602/4885SMN1; SMN2 858/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885SMN1; SMN2 960/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B NPC1 561/4885RAB9A 692/4885SMN1; SMN2 960/4885

“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.