SCHEMBL1259765

SCHEMBL1259765

CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.56
MMP13 P45452 2/20 0.56
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
EPHX2 P34913 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CSGALNACT1 Q8TDX6 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ADAMTS4 O75173 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
SCHEMBL9442663 1.00 MMP2 (0.56) MMP2MMP13MMP1MMP3MMP7
SCHEMBL11072569 1.00 MMP2 (0.56) MMP2MMP13MMP1MMP3MMP7
SCHEMBL11445040 0.85 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP7
SCHEMBL11197937 0.85 NR1H4 (0.50) ALDH1A1MAPTEPHX2NPC1RAB9A
SCHEMBL11197943 0.85 NR1H4 (0.50) ALDH1A1MAPTEPHX2NPC1RAB9A
SCHEMBL11445004 0.84 ALDH1A1 (0.49) MMP2MMP13MMP1MMP3MMP7
SCHEMBL11198025 0.83 ALDH1A1 (0.52) MMP2MMP13MMP1MMP3MMP7
SCHEMBL11198020 0.83 ALDH1A1 (0.52) MMP2MMP13MMP1MMP3MMP7
SCHEMBL735333 0.83 MMP2 (0.53) MMP2MMP13MMP1MMP3MMP7
SCHEMBL943656 0.83 MMP2 (0.53) MMP2MMP13MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038617-B1 DIASTEREOMERS OF AMINO ACID ESTERS, PESTICIDAL COMPOSITIONS INCLUDING THEM AND METHOD OF CONTROLLING PESTS USING THEM ZOECON CORPORATION (US) 1983-07-20 EP claimed
EP-0038617-A1 Diastereomers of amino acid esters, pesticidal compositions including them and method of controlling pests using them ZOECON CORPORATION (US) 1981-10-28 EP claimed
US-4260633-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-04-07 US claimed
US-7879863-B2 Kallikrein inhibitors such as N-((2R)-3-methyl-2-{[4-(trifluoromethyl)phenyl]amino}butyl)-2-phenylacetamide trifluoroacetate, used for the treatment of gastrointestinal disorders, periodontal diseases, skin disorders, arthritis, hypotension, edema, respiratory system disorders and proliferative diseases AJINOMOTO CO., INC. (JP) 2011-02-01 US disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
EP-1736465-A1 ANILINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2006-12-27 EP disclosed
EP-0038617-B1 DIASTEREOMERS OF AMINO ACID ESTERS, PESTICIDAL COMPOSITIONS INCLUDING THEM AND METHOD OF CONTROLLING PESTS USING THEM ZOECON CORPORATION (US) 1983-07-20 EP disclosed
EP-0038617-A1 Diastereomers of amino acid esters, pesticidal compositions including them and method of controlling pests using them ZOECON CORPORATION (US) 1981-10-28 EP disclosed
EP-0038617-A1 Diastereomers of amino acid esters, pesticidal compositions including them and method of controlling pests using them ZOECON CORPORATION (US) 1981-10-28 EP disclosed
US-4260633-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-04-07 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-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN MMP2 45/4885MMP13 187/4885MMP1 118/4885

“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.