SCHEMBL2182918

SCHEMBL2182918

O=C1c2ccccc2C(=O)N1CCCP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL17557089 0.95 TSHR (0.60) TSHRMAPK1TDP1L3MBTL1MAPT
SCHEMBL31499011 0.93 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL7330639 0.93 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL1566399 0.93 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL9242647 0.89 TSHR (0.56) TSHRMAPK1TDP1L3MBTL1MAPT
SCHEMBL31018801 0.86 KDM4E (0.61) TSHRMAPK1RAB9ASMN1; SMN2
SCHEMBL13239574 0.81 TSHR (0.60) TSHRMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL6790333 0.80 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4351612 0.80 TDP1 (0.66) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL7431247 0.80 TSHR (0.56) TSHRMAPK1TDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262819-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS Beam Therapeutics Inc. (US) 2023-10-25 EP disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
WO-2022140252-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. (US) 2022-06-30 WO disclosed
EP-3548478-B1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS APROS THERAPEUTICS INC (US) 2021-11-17 EP disclosed
US-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2021-11-16 US disclosed
US-11034994-B2 In vivo detection of phospholipase activation THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-06-15 US disclosed
US-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS Apros Therapeutics, Inc. 2021-01-07 US disclosed
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2020-09-29 US disclosed
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. 2019-10-17 US disclosed
EP-3548478-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. (US) 2019-10-09 EP disclosed
US-9957546-B2 Vivo detection of phospholipase activation THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-05-01 US disclosed
EP-1973583-B1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NAT RECH SCIENT (FR) 2016-09-14 EP disclosed
US-20110165084-A1 VIVO DETECTION OF PHOSPHOLIPASE ACTIVATION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-07-07 US disclosed
WO-2009111439-A2 IN VIVO DETECTION OF PHOSPHOLIPASE ACTIVATION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-11 WO disclosed
EP-1973583-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES Centre National de la Recherche Scientifique (FR) 2008-10-01 EP disclosed
EP-1902078-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION Ciba Specialty Chemicals Holding, Inc. (CH) 2008-03-26 EP disclosed
WO-2007080291-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-07-19 WO disclosed
WO-2007006648-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-18 WO disclosed
WO-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO disclosed
WO-1995031572-A1 AMINOHYDROCARBON PHOSPHONATE OLIGONUCLEOTIDES AND USES THEREFOR PHARMGENICS, INC. (US) 1995-11-23 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 (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-20110165084-A1 VIVO DETECTION OF PHOSPHOLIPASE ACTIVATION PLA2G4A, PLA2G4C, PLA2G4B TSHR 3746/4885MAPK1 4420/4885TDP1 838/4885
US-20210000826-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS AS TLR7 MODULATORS TLR7, TLR9, STING1 TSHR 3707/4885MAPK1 1816/4885TDP1 304/4885
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 TSHR 3962/4885MAPK1 2570/4885TDP1 312/4885
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 TSHR 4628/4885MAPK1 4677/4885TDP1 3955/4885
US-11173157-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS TSHR 3285/4885MAPK1 740/4885TDP1 388/4885
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS TSHR 3285/4885MAPK1 740/4885TDP1 388/4885
US-11034994-B2 In vivo detection of phospholipase activation PLA2G4A, PLA2G4C, PLA2G4B TSHR 3764/4885MAPK1 4485/4885TDP1 797/4885

“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.