SCHEMBL14948973

SCHEMBL14948973

Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.53
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
POLB P06746 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
FPR2 P25090 2/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NTSR1 P30989 1/20 0.47
MAOA P21397 1/20 0.46
KLK5 Q9Y337 1/20 0.46
ATM Q13315 3/20 0.46
ACE P12821 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14948928 0.88 NLRP3 (0.49) NLRP3MAPTTDP1POLBMMP1
SCHEMBL14948969 0.87 TP53 (0.52) NLRP3MAPTTDP1POLBMMP1
SCHEMBL14937629 0.85 FPR2 (0.64) NLRP3FPR2L3MBTL1
SCHEMBL14902624 0.83 FPR2 (0.70) MAPTFPR2NPSR1
SCHEMBL28348563 0.83 FPR2 (0.70) MAPTFPR2NPSR1
SCHEMBL14948981 0.80 FPR2 (0.50) MAPTTDP1POLBMMP1MMP3
SCHEMBL14948943 0.80 FPR2 (0.50) MAPTTDP1POLBMMP1MMP3
SCHEMBL14948976 0.78 FPR2 (0.58) NLRP3FPR2L3MBTL1
SCHEMBL13296580 0.78 MAPT (0.57) MAPTTDP1POLBMMP1MMP3
SCHEMBL14948944 0.77 MEN1 (0.50) MAPTTDP1POLBMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816076-B2 Aryl urea derivatives as N-formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2014-08-26 US disclosed
US-8541577-B2 Aryl urea derivatives as N-formyl peptide receptors like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-20130123496-A1 ARYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTORS LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 US disclosed
WO-2013070600-A1 ARYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 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-20130123496-A1 ARYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTORS LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 NLRP3 186/4885MAPT 3442/4885TDP1 4349/4885

“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.