SCHEMBL4220649

SCHEMBL4220649

O=C(O)c1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1.[Ag]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.63
NR4A1 P22736 1/20 0.63
NR4A3 Q92570 1/20 0.63
SRD5A2 P31213 3/20 0.58
PLA2G4B P0C869 1/20 0.55
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.49
MAOB P27338 1/20 0.47
PARP10 Q53GL7 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL2987983 0.98 NR4A2 (0.65) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL28488225 0.88 NR4A1 (0.59) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL2981632 0.86 NR4A1 (0.61) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL4220394 0.86 SRD5A2 (0.54) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL9568480 0.86 TSHR (0.57) NR4A2NR4A1NR4A3TSHRMEN1
SCHEMBL4231246 0.84 SRD5A2 (0.55) NR4A2NR4A1NR4A3SRD5A2TSHR
Silver SCHEMBL4220651 0.84 TSHR (0.49) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL21419139 0.84 TSHR (0.51) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL28626541 0.83 SMN1; SMN2 (0.57) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL16011563 0.83 NR4A2 (0.66) NR4A2NR4A1NR4A3SRD5A2TSHR

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
EP-3189840-B1 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME KEMPHARM INC (US) 2021-05-19 EP disclosed
US-20190142815-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same ALTER DOMUS (US) LLC 2019-05-16 US disclosed
US-10231960-B2 Methylphenidate-prodrugs, processes of making and using the same KEMPHARM INC. (US) 2019-03-19 US disclosed
EP-3189840-A1 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME Kempharm, Inc. (US) 2017-07-12 EP disclosed
EP-2736510-B1 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME KEMPHARM INC (US) 2017-03-01 EP disclosed
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2017-02-23 US disclosed
US-9453037-B2 Methylphenidate-prodrugs, processes of making and using the same KEMPHARM, INC (US) 2016-09-27 US disclosed
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2015-09-24 US disclosed
US-9079928-B2 Methylphenidate-oxoacid conjugates, processes of making and using the same KEMPHARM, INC. (US) 2015-07-14 US disclosed
US-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMMAVE THERAPEUTICS SA (CH) 2014-08-28 US disclosed
EP-2736510-A2 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME Kempharm, Inc. (US) 2014-06-04 EP disclosed
WO-2013016668-A2 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME KEMPHARM INC. (US) 2013-01-31 WO disclosed
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 US disclosed
EP-2001886-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-12-17 EP disclosed
WO-2007103839-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 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 (7 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-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 NR4A2 2218/4885NR4A1 2433/4885NR4A3 1710/4885
US-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMT, PNMT, SLC6A3 NR4A2 1998/4885NR4A1 1101/4885NR4A3 1175/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT NR4A2 1930/4885NR4A1 1012/4885NR4A3 1196/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT NR4A2 1930/4885NR4A1 1012/4885NR4A3 1196/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 NR4A2 2162/4885NR4A1 2402/4885NR4A3 1704/4885
US-20190142815-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT NR4A2 1930/4885NR4A1 1012/4885NR4A3 1196/4885
US-10231960-B2 Methylphenidate-prodrugs, processes of making and using the same COMT, TPMT, PNMT NR4A2 1930/4885NR4A1 1012/4885NR4A3 1196/4885

“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.