SCHEMBL27297

SCHEMBL27297

COc1cccc(NC(=O)OC(C)(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL29991357 0.86 KMT2A (0.59) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL729221 0.86 KMT2A (0.59) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL20597533 0.85 P2RX7 (0.53) P2RX7KMT2AL3MBTL1RXFP1KDM4E
SCHEMBL31648491 0.85 GAA (0.44) P2RX7KMT2APDK1PDK2PDK3
SCHEMBL27847969 0.85 LMNA (0.44) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL1097144 0.85 BRD4 (0.49) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL3407598 0.84 KMT2A (0.43) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL1779793 0.84 PDK1 (0.46) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL14337634 0.84 KMT2A (0.43) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL3986627 0.82 CA12 (0.56) KMT2AL3MBTL1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372243-A Synthesis process of BOC-3-methoxy-2-methylaniline 南京爱可德夫科技开发有限公司 2021-09-10 CN claimed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US claimed
CN-113372243-A Synthesis process of BOC-3-methoxy-2-methylaniline 南京爱可德夫科技开发有限公司 2021-09-10 CN disclosed
CN-113372243-A Synthesis process of BOC-3-methoxy-2-methylaniline 南京爱可德夫科技开发有限公司 2021-09-10 CN disclosed
CN-113372243-A Synthesis process of BOC-3-methoxy-2-methylaniline 南京爱可德夫科技开发有限公司 2021-09-10 CN disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
WO-1999024026-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
WO-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP 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 (2 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS P2RX7 475/4885KMT2A 3645/4885L3MBTL1 1862/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS P2RX7 475/4885KMT2A 3645/4885L3MBTL1 1862/4885

“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.