SCHEMBL6695068

SCHEMBL6695068

CC(OC(=O)OC(C)c1ccc(F)cc1Cl)c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.43
NR3C2 P08235 5/20 0.42
LPAR1 Q92633 1/20 0.40
MDM4 O15151 3/20 0.39
SCN9A Q15858 2/20 0.39
NR3C1 P04150 2/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL6695074 0.89 MDM2 (0.42) MDM2NR3C2LPAR1MDM4SCN9A
SCHEMBL15853710 0.79 NR3C2 (0.40) MDM2NR3C2MDM4SCN9ANR3C1
SCHEMBL9061421 0.76 MDM2 (0.40) MDM2NR3C2MDM4NR3C1DPP4
SCHEMBL564412 0.76 MDM2 (0.44) MDM2NR3C2MDM4DPP4DPP7
SCHEMBL30202666 0.75 GPR139 (0.48) MDM2NR3C2
SCHEMBL30938844 0.75 NR3C2 (0.53) MDM2NR3C2MDM4NR3C1
SCHEMBL30938843 0.75 NR3C2 (0.53) MDM2NR3C2MDM4NR3C1
SCHEMBL22289631 0.75 MDM2 (0.43) MDM2NR3C2MDM4DPP4DPP7
SCHEMBL23212834 0.74 PDE2A (0.59) MDM2NR3C2MDM4DPP4DPP7
SCHEMBL17215540 0.74 PDE2A (0.59) MDM2NR3C2MDM4DPP4DPP7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5286912-A None JP disclosed
JP-5286906-A None JP disclosed
JP-5286909-A None JP disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
EP-0950657-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors LILLY CO ELI (US) 2004-07-14 EP disclosed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
EP-0950657-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP disclosed
JP-H05286906-A CARBONIC ACID ESTER DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-11-02 JP disclosed
JP-H05286912-A PRODUCTION OF AMINOPHENOL DERIVATIVE SUMITOMO CHEM CO LTD 1993-11-02 JP disclosed
JP-H05286909-A NITRIBENZENE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-11-02 JP 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 MDM2 994/4885NR3C2 1107/4885LPAR1 2507/4885

“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.