SCHEMBL4958680

SCHEMBL4958680

O=C(O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.67
S1PR5 Q9H228 5/20 0.65
S1PR1 P21453 4/20 0.65
GRK5 P34947 1/20 0.65
CDK8 P49336 1/20 0.65
SERPINE1 P05121 1/20 0.63
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
LMNA P02545 1/20 0.60
FAAH O00519 1/20 0.59
PDGFRA P16234 1/20 0.58
UBE2M P61081 1/20 0.57
DCUN1D1 Q96GG9 1/20 0.57
DRD4 P21917 2/20 0.57
KCNH2 Q12809 1/20 0.57
CACNA1I Q9P0X4 1/20 0.57
NOTUM Q6P988 1/20 0.56
ACKR3 P25106 1/20 0.55

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
SCHEMBL29783820 1.00 SIGMAR1 (0.67) SIGMAR1S1PR5S1PR1GRK5CDK8
SCHEMBL31414613 0.88 SIGMAR1 (0.63) SIGMAR1S1PR5S1PR1GRK5CDK8
SCHEMBL4000036 0.84 S1PR5 (0.58) SIGMAR1S1PR5S1PR1GRK5CDK8
SCHEMBL24529849 0.83 SIGMAR1 (0.62) SIGMAR1S1PR5KDM4EALDH1A1FAAH
SCHEMBL17099355 0.83 FAAH (0.59) SIGMAR1S1PR5S1PR1GRK5CDK8
SCHEMBL1519149 0.82 SIGMAR1 (0.65) SIGMAR1KDM4EALDH1A1FAAH
SCHEMBL18657812 0.82 SIGMAR1 (0.65) SIGMAR1KDM4EUBE2MDCUN1D1
SCHEMBL171786 0.81 KDM4E (0.65) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL2929974 0.81 FAAH (0.72) SIGMAR1S1PR5S1PR1GRK5CDK8
SCHEMBL3938442 0.81 CHRM4 (0.66) SIGMAR1DRD4KCNH2CACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US claimed
CN-1993336-A Substituted n-acyl-2-aminothiazoles HOFFMANN LA ROCHE (CH) 2007-07-04 CN claimed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US claimed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
CN-1993336-A Substituted n-acyl-2-aminothiazoles HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1791822-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP disclosed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US disclosed
WO-2006013054-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (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-20060030589-A1 Substituted N-acyl-2-aminothiazoles SLC5A2, ABAT, AGTR2 SIGMAR1 3791/4885S1PR5 1529/4885S1PR1 2366/4885

“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.