SCHEMBL1966136

SCHEMBL1966136

CCOC(=O)C(CCO[Si](C)(C)C(C)(C)C)c1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
TNIK Q9UKE5 1/20 0.36
RAB9A P51151 4/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL1966141 1.00 EGFR (0.39) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL1965069 0.91 TRPV1 (0.39) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL1965072 0.91 TRPV1 (0.39) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL9976636 0.88 TRPV1 (0.40) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL3230962 0.85 TRPA1 (0.39) EGFRTRPV1MMP2HDAC3HDAC1
SCHEMBL1969577 0.85 TRPA1 (0.39) EGFRTRPV1MMP2HDAC3HDAC1
SCHEMBL1966138 0.81 TRPM8 (0.36) BACE1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL1968044 0.77 TRPV1 (0.43) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL1968041 0.77 TRPV1 (0.43) EGFRTRPV1MMP1MMP2MMP9
SCHEMBL3087697 0.75 TRPV1 (0.47) EGFRTRPV1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 EGFR 121/4885TRPV1 3461/4885MMP1 2517/4885

“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.