SCHEMBL15780776

SCHEMBL15780776

CC(=O)/C=C/c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ APP P05067 4/20 0.54
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NFKB1 P19838 4/20 0.49
▸ AKR1B1 P15121 3/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HSD17B2 P37059 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ TERT O14746 1/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46

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
SCHEMBL15780784 0.87 PTGS1 (0.67) IAPPPTGS1APPMEN1KMT2A
SCHEMBL14898184 0.85 KDM4E (0.66) IAPPPTGS1APPMEN1KMT2A
SCHEMBL21986902 0.81 IAPP (0.73) IAPPPTGS1APPMEN1KMT2A
SCHEMBL21986720 0.81 IAPP (0.73) IAPPPTGS1APPMEN1KMT2A
SCHEMBL1881134 0.80 IAPP (1.00) IAPPPTGS1APPMEN1KMT2A
SCHEMBL29364807 0.80 IAPP (1.00) IAPPPTGS1APPMEN1KMT2A
SCHEMBL1881133 0.80 IAPP (1.00) IAPPPTGS1APPMEN1KMT2A
SCHEMBL13830813 0.79 TTR (0.72) APPAKR1B1CYP3A4TTRCA12
SCHEMBL14898208 0.78 XDH (0.62) IAPPPTGS1APPMEN1KMT2A
SCHEMBL29957499 0.77 KDM4E (0.57) APPMEN1KMT2ANFKB1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 — — US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 — — 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 (2 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A IAPP 1783/4885PTGS1 4008/4885APP 674/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 IAPP 1331/4885PTGS1 3089/4885APP 848/4885

“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.

Send feedback