SCHEMBL14948943

SCHEMBL14948943

CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MLYCD O95822 1/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
KLK5 Q9Y337 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 1.00 FPR2 (0.50) FPR2ALDH1A1NPC1MMP1MMP3
SCHEMBL14948969 0.89 TP53 (0.52) FPR2ALDH1A1MMP1MMP3MMP9
SCHEMBL14948928 0.88 NLRP3 (0.49) FPR2MMP1MMP3MMP9POLB
SCHEMBL14937925 0.85 FPR2 (0.65) FPR2ALDH1A1NPC1L3MBTL1LMNA
SCHEMBL14937668 0.85 FPR2 (0.65) FPR2ALDH1A1NPC1L3MBTL1LMNA
SCHEMBL14903120 0.84 AAK1 (0.53) FPR2ALDH1A1L3MBTL1
SCHEMBL14948926 0.84 FPR2 (0.53) FPR2ALDH1A1NPC1L3MBTL1LMNA
SCHEMBL14902624 0.83 FPR2 (0.70) FPR2NPC1RAB9AMAPTKMT2A
SCHEMBL28348563 0.83 FPR2 (0.70) FPR2NPC1RAB9AMAPTKMT2A
SCHEMBL14948972 0.82 ALDH1A1 (0.58) FPR2ALDH1A1NPC1L3MBTL1LMNA

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
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 FPR2 3/4885ALDH1A1 3881/4885NPC1 1524/4885

“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.