SCHEMBL362355

SCHEMBL362355

O=C(O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ USP2 O75604 1/20 0.41
▸ CFTR P13569 1/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ DAO P14920 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL7331788 0.80 CA2 (0.33) CA2CA4CA5AUSP2TSHR
SCHEMBL7334090 0.80 ALDH1A1 (0.38) CA2CA4CA5AUSP2TSHR
SCHEMBL7322208 0.80 CA2 (0.33) CA2CA4CA5AUSP2TSHR
SCHEMBL7331335 0.76 KMT2A (0.48) CA2CA4TSHRALDH1A1MEN1
SCHEMBL17099130 0.76 NPSR1 (0.49) CA2TSHRGAAALDH1A1MEN1
SCHEMBL8794449 0.72 MEN1 (0.49) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL362216 0.72 TSHR (0.37) CA2CA4CA5ATSHRGAA
SCHEMBL13493153 0.67 MAPT (0.50) CA2CA4CA5AUSP2CFTR
SCHEMBL31574395 0.66 CA2 (0.58) CA2CA4CA5AUSP2CFTR
SCHEMBL14951110 0.65 CA2 (0.38) CA2CA4CA5ACFTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767749-A CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 — — US claimed
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 — — EP disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 — — EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 — — EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 — — WO disclosed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 — — CN disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 — — EP disclosed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 — — EP disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 — — WO disclosed
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 — — WO disclosed
EP-0215313-B1 EMULSION COMPOSITIONS FOR THE PARENTERAL AND/OR ORAL ADMINISTRATION OF SPARINGLY WATER SOLUBLE IONIZABLE HYDROPHOBIC DRUGS AMERICAN CYANAMID COMPANY (US) 1992-07-29 — — EP disclosed
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 — — US disclosed
US-4894368-A CARDIOVASCULAR DISORDERS, DIURETICS AMERICAN CYANAMID COMPANY (US) 1990-01-16 — — US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 — — EP disclosed
US-4816247-A FOR INJECTIONS AMERICAN CYANAMID COMPANY (US) 1989-03-28 — — US disclosed
US-4784845-A FAT EMULSIONS WITH BENZYL ALCOHOL FOR DRUGS AMERICAN CYANAMID COMPANY (US) 1988-11-15 — — US disclosed
US-4767749-A CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 — — US disclosed
EP-0215313-A2 Emulsion compositions for the parenteral and/or oral administration of sparingly water soluble ionizable hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-25 — — EP disclosed
EP-0214501-A2 Emulsion compositions for administration of sparingly water soluble ionizable basic hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-18 — — 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 (1 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-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B CA2 731/4885CA4 2492/4885CA5A 1642/4885

“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.

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