SCHEMBL16601895

SCHEMBL16601895

CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)O)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.62
MMP1 P03956 2/20 0.62
MMP3 P08254 2/20 0.62
MMP7 P09237 1/20 0.60
MMP9 P14780 1/20 0.60
MMP12 P39900 1/20 0.60
MMP13 P45452 1/20 0.60
MME P08473 6/20 0.60
ACE P12821 5/20 0.60
CPA1 P15085 3/20 0.60
ACE2 Q9BYF1 3/20 0.60

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
SCHEMBL16601898 1.00 MMP2 (0.62) MMP2MMP1MMP3MMP7MMP9
SCHEMBL14903036 0.86 NPC1 (0.58) MMP2MMP1MMP3MMEACE
SCHEMBL15222244 0.83 ACE (0.66) MMP2MMP1MMP3MMP7MMP9
SCHEMBL15223639 0.83 MME (0.66) MMP2MMP7MMP9MMP12MMP13
SCHEMBL18814896 0.83 MME (0.61) MMP2MMP7MMP9MMP12MMP13
SCHEMBL18558016 0.82 MMP1 (0.61) MMP2MMP1MMP3MMEACE
SCHEMBL15692372 0.81 MME (0.67) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7374357 0.81 MME (0.67) MMP2MMP7MMP9MMP12MMP13
SCHEMBL15649671 0.81 MME (0.67) MMP2MMP7MMP9MMP12MMP13
SCHEMBL10129735 0.81 MME (0.67) MMP2MMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974772-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2018-05-22 US disclosed
US-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2017-05-04 US disclosed
US-9579307-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2017-02-28 US disclosed
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-18 US disclosed
US-9351948-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2016-05-31 US disclosed
US-20150148395-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-05-28 US disclosed
US-8993780-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2015-03-31 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 (3 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-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 MMP2 4354/4885MMP1 4416/4885MMP3 4640/4885
US-20150148395-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 MMP2 4354/4885MMP1 4416/4885MMP3 4640/4885
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 MMP2 4354/4885MMP1 4416/4885MMP3 4640/4885

“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.