SCHEMBL2455065

SCHEMBL2455065

O=C(O)c1cc(C(=O)O)n(Cc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.64
SORT1 Q99523 5/20 0.64
P2RY14 Q15391 2/20 0.53
MARS1 P56192 1/20 0.53
BRD4 O60885 1/20 0.52
MME P08473 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CCR2 P41597 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
CYP1A2 P05177 1/20 0.45
PTGER1 P34995 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL30812509 0.93 GRN (0.55) GRNSORT1P2RY14MARS1BRD4
SCHEMBL29006219 0.87 GRN (0.50) GRNSORT1P2RY14MMEPOLB
SCHEMBL7192267 0.86 P2RY14 (0.56) GRNSORT1P2RY14MMEPTGER1
SCHEMBL17727584 0.86 GRN (0.49) GRNSORT1P2RY14MMEMEN1
SCHEMBL28339416 0.85 GRN (0.59) GRNSORT1P2RY14BRD4MME
SCHEMBL20488433 0.85 SMN1; SMN2 (0.53) GRNSORT1P2RY14MARS1BRD4
SCHEMBL20488429 0.85 BRD4 (0.72) GRNSORT1P2RY14BRD4MME
SCHEMBL7934400 0.84 P2RY14 (0.55) GRNSORT1P2RY14MMEPTGER1
SCHEMBL19737758 0.84 SMN1; SMN2 (0.55) GRNSORT1P2RY14MARS1BRD4
SCHEMBL15056101 0.83 P2RY14 (0.53) GRNSORT1P2RY14MARS1BRD4

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-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
EP-3215136-B1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NAT RECH SCIENT (FR) 2021-03-24 EP disclosed
EP-3215136-B1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NAT RECH SCIENT (FR) 2021-03-24 EP disclosed
WO-2018158212-A1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-07 WO disclosed
US-20170360752-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-12-21 US disclosed
US-20170360752-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-12-21 US disclosed
US-20170360752-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-12-21 US disclosed
EP-3215136-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-09-13 EP disclosed
WO-2016071470-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2016-05-12 WO disclosed
WO-2016071470-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2016-05-12 WO disclosed
EP-3017812-A1 N1-Benzyl substituted pyrazoles as antiviral agents directed against respiratory synctical virus (RSV) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-05-11 EP disclosed
EP-3017812-A1 N1-Benzyl substituted pyrazoles as antiviral agents directed against respiratory synctical virus (RSV) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-05-11 EP disclosed
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 US disclosed
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-06-27 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 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 (6 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-10966961-B2 Pyrazole derivatives as bromodomain inhibitors BRD3, BRD4, BRPF3 GRN 2317/4885SORT1 4871/4885P2RY14 2287/4885
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS CBS, ARSA, SOD1 GRN 780/4885SORT1 2654/4885P2RY14 2935/4885
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GRN 734/4885SORT1 3066/4885P2RY14 3826/4885
US-20170360752-A1 ANTIVIRAL AGENTS DIRECTED AGAINST RESPIRATORY SYNCYTIAL VIRUS MAVS, ZC3HAV1, SARS1 GRN 3885/4885SORT1 4037/4885P2RY14 2513/4885
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GRN 734/4885SORT1 3066/4885P2RY14 3826/4885
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GRN 734/4885SORT1 3066/4885P2RY14 3826/4885

“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.