SCHEMBL869978

SCHEMBL869978

Cc1cccc(CC(=O)O)c1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC22A12 Q96S37 3/20 0.43
GLA P06280 1/20 0.41
STING1 Q86WV6 1/20 0.41
CTBP2 P56545 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 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
SCHEMBL7911305 0.87 PTGS2 (0.56) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL20045094 0.84 PTGS2 (0.56) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL20045103 0.82 PTGS2 (0.51) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL3767513 0.79 GABRA1 (0.48) PTGS2TDP1SMN1; SMN2CYP1A2
SCHEMBL1636607 0.79 CXCL8 (0.50) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL7595125 0.78 TAAR1 (0.37) MAPTCYP1A2
SCHEMBL1004574 0.78 KDM4E (0.58) PTGS2AKR1B1KDM4EMAPTMEN1
SCHEMBL29933724 0.78 PTGS2 (0.54) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL5925081 0.78 PTGS2 (0.54) PTGS2AKR1B1TDP1KDM4EMAPT
SCHEMBL2552936 0.78 PTGS2 (0.54) PTGS2AKR1B1TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045626-A1 Methods and Compositions for Improved Labeling of Targeting Peptides IMMUNOMEDICS, INC. 2016-02-18 US disclosed
US-9115172-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-08-25 US disclosed
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 US disclosed
US-20150057432-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2015-02-26 US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 US disclosed
US-8889100-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-11-18 US disclosed
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-08-14 US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-20130315821-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2013-11-28 US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
US-8444956-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-05-21 US disclosed
US-8398956-B2 In vivo copper-free click chemistry for delivery of therapeutic and/or diagnostic agents IMMUNOMEDICS, INC. (US) 2013-03-19 US disclosed
US-20120282178-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-11-08 US disclosed
US-8202509-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2012-06-19 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 US disclosed
US-20120076727-A1 In Vivo Copper-Free Click Chemistry for Delivery of Therapeutic and/or Diagnostic Agents IMMUNOMEDICS, INC. (US) 2012-03-29 US disclosed
US-20110110854-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2011-05-12 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 (10 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-20150057432-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PTGS2 4745/4885AKR1B1 4347/4885TDP1 4434/4885
US-20130315821-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PTGS2 4745/4885AKR1B1 4347/4885TDP1 4434/4885
US-20110110854-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT PTGS2 4799/4885AKR1B1 4102/4885TDP1 4399/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS PTGS2 4819/4885AKR1B1 4182/4885TDP1 4600/4885
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 PTGS2 4745/4885AKR1B1 4347/4885TDP1 4434/4885
US-20120282178-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT PTGS2 4799/4885AKR1B1 4102/4885TDP1 4399/4885
US-20120076727-A1 In Vivo Copper-Free Click Chemistry for Delivery of Therapeutic and/or Diagnostic Agents TIE1, C9, NCLN PTGS2 3131/4885AKR1B1 2368/4885TDP1 2771/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS PTGS2 4819/4885AKR1B1 4182/4885TDP1 4600/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS PTGS2 4819/4885AKR1B1 4182/4885TDP1 4600/4885
US-20160045626-A1 Methods and Compositions for Improved Labeling of Targeting Peptides SSTR5, SSTR4, SSTR2 PTGS2 4553/4885AKR1B1 4691/4885TDP1 4213/4885

“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.