SCHEMBL14948969

SCHEMBL14948969

Cc1cc(Br)ccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
FPR2 P25090 3/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46
NLRP3 Q96P20 2/20 0.46
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
MAOA P21397 1/20 0.45
KLK5 Q9Y337 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 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
SCHEMBL14948981 0.89 FPR2 (0.50) MMP1MMP3MMP9FPR2MAPT
SCHEMBL14948943 0.89 FPR2 (0.50) MMP1MMP3MMP9FPR2MAPT
SCHEMBL14948973 0.87 NLRP3 (0.53) MMP1MMP3MMP9FPR2MAPT
SCHEMBL14938165 0.86 FPR2 (0.65) TP53FPR2ALDH1A1MEN1KMT2A
SCHEMBL14902624 0.84 FPR2 (0.70) FPR2MAPTNPSR1MEN1KMT2A
SCHEMBL28348563 0.84 FPR2 (0.70) FPR2MAPTNPSR1MEN1KMT2A
SCHEMBL14948944 0.82 MEN1 (0.50) MMP1MMP3MMP9FPR2MAPT
SCHEMBL14948925 0.80 TAS1R3 (0.54) MMP1MMP3MMP9FPR2MAPT
SCHEMBL14948928 0.80 NLRP3 (0.49) MMP1MMP3MMP9FPR2MAPT
SCHEMBL23970116 0.76 NLRP3 (0.63) MMP1MMP3POLBNLRP3ALDH1A1

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
EP-3088385-A1 ARYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-11-02 EP disclosed
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

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 TP53 4319/4885MMP1 4014/4885MMP3 4456/4885

“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.