SCHEMBL2987983

SCHEMBL2987983

O=C(O)c1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.65
NR4A1 P22736 1/20 0.65
NR4A3 Q92570 1/20 0.65
SRD5A2 P31213 3/20 0.59
PLA2G4B P0C869 1/20 0.56
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOB P27338 1/20 0.49
PARP10 Q53GL7 1/20 0.49
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

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
SCHEMBL4220649 0.98 NR4A2 (0.63) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL2981632 0.88 NR4A1 (0.61) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL9568480 0.88 TSHR (0.57) NR4A2NR4A1NR4A3TSHRMEN1
SCHEMBL28488225 0.86 NR4A1 (0.59) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL4231246 0.86 SRD5A2 (0.55) NR4A2NR4A1NR4A3SRD5A2TSHR
Silver SCHEMBL4220651 0.86 TSHR (0.49) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL21419139 0.85 TSHR (0.51) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL28626541 0.84 SMN1; SMN2 (0.57) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL4220394 0.84 SRD5A2 (0.54) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL16011563 0.84 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776855-B2 Antimicrobial oxazolidinone prodrugs JANSSEN PHARMACEUTICA N.V. (BG) 2010-08-17 US claimed
US-20080027053-A1 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US claimed
WO-2008014108-A2 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 WO claimed
CN-107261148-B Methylphenidate prodrugs, methods of making and using the same 凯姆制药公司 2021-07-13 CN disclosed
US-7776855-B2 Antimicrobial oxazolidinone prodrugs JANSSEN PHARMACEUTICA N.V. (BG) 2010-08-17 US disclosed
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US 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
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
US-20080027053-A1 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2008014108-A2 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 WO 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
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
EP-1224181-B1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2003-12-03 EP disclosed
US-6559164-B1 These compounds and their pharmaceutically acceptable salts are suitable for administration to patients as continuous infusion solution and are useful in the treatment and/or control of cell proliferative disorders, in particular cancer. HOFFMANN-LA ROCHE INC. 2003-05-06 US disclosed
EP-1224181-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027106-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 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 (3 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-20080027053-A1 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS OXA1L, PGLS, CYP51A1 NR4A2 1376/4885NR4A1 2314/4885NR4A3 1889/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 NR4A2 2162/4885NR4A1 2402/4885NR4A3 1704/4885

“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.