SCHEMBL14948944

SCHEMBL14948944

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Br)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
POLB P06746 3/20 0.48
ATM Q13315 3/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL14937881 0.84 MEN1 (0.69) MEN1KMT2ARXFP1FPR2
SCHEMBL14948969 0.82 TP53 (0.52) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL14948943 0.81 FPR2 (0.50) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL14948981 0.81 FPR2 (0.50) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL14902624 0.80 FPR2 (0.70) MEN1KMT2AMAPTCA12CA1
SCHEMBL28348563 0.80 FPR2 (0.70) MEN1KMT2AMAPTCA12CA1
SCHEMBL14948925 0.79 TAS1R3 (0.54) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL14948973 0.77 NLRP3 (0.53) MMP1MMP3MMP9MAPTTDP1
SCHEMBL14948928 0.77 NLRP3 (0.49) KMT2AMMP1MMP3MMP9MAPT
SCHEMBL18435382 0.75 CTSS (0.68) MEN1KMT2AMMP1MMP3MMP9

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 5 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
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
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 MEN1 4529/4885KMT2A 4755/4885MMP1 4014/4885

“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.