SCHEMBL95869

SCHEMBL95869

O=[C]Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.39
HSPB1 P04792 1/20 0.39
NFE2L2 Q16236 1/20 0.37
DAO P14920 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAOB P27338 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
APP P05067 1/20 0.33
NR4A2 P43354 1/20 0.33
FKBP1A P62942 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL7880580 0.93 BCL2L1 (0.40) SOS1HSPB1NFE2L2MAOBCA2
SCHEMBL8142070 0.86 CA2 (0.32) CA1CA2CA7CA9
SCHEMBL4753072 0.74 NFE2L2 (0.37) SOS1HSPB1NFE2L2MAOBCA1
SCHEMBL7003904 0.74 CA1 (0.43) CES2CES1CA1CA2CA9
SCHEMBL96632 0.74 MEN1 (0.43) DAOCES2CES1MAOBCA1
SCHEMBL4867495 0.74 MEN1 (0.50) CA1CA2CA9APPALDH1A1
SCHEMBL96667 0.74 CA1 (0.58) CES2CES1CA1CA2CA7
SCHEMBL3181839 0.74 CES2 (0.40) CES2CES1CA1CA9
SCHEMBL95901 0.74 ACHE (0.48) CES2CES1CA1CA2CA9
SCHEMBL5848380 0.74 NFE2L2 (0.37) SOS1HSPB1NFE2L2MAOBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102939292-A Spirocyclic compounds and their use as therapeutic agents and diagnostic probes UNIV BASEL 2013-02-20 CN claimed
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 US claimed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 EP claimed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP claimed
EP-0636144-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-02-01 EP claimed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SOS1 4395/4885HSPB1 2606/4885NFE2L2 4131/4885
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 SOS1 2357/4885HSPB1 3014/4885NFE2L2 859/4885

“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.