SCHEMBL14982053

SCHEMBL14982053

CCCS(=O)(=O)/C(C#N)=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALPG P10696 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MCL1 Q07820 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PLIN1 O60240 1/20 0.41
▸ PLIN5 Q00G26 1/20 0.41
▸ ABHD5 Q8WTS1 1/20 0.41

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
SCHEMBL11560494 0.78 PPME1 (0.55) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11560496 0.78 PPME1 (0.55) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4172982 0.75 BRAF (0.48) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4172973 0.75 BRAF (0.48) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4172977 0.75 BRAF (0.48) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4071742 0.75 MEN1 (0.55) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL3243229 0.75 MEN1 (0.55) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL4071741 0.75 MEN1 (0.55) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL9163842 0.74 PPME1 (0.58) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL8716630 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993634-B2 Methods and use of compounds that bind to Her2/neu receptor complex THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-03-31 — — US disclosed
US-20130190405-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-25 — — US disclosed
US-20130137774-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-05-30 — — 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-20130137774-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX ERBB2, EGFR, ERBB3 PKM 2867/4885L3MBTL1 4339/4885ALDH1A1 4106/4885
US-20130190405-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX ERBB2, EGFR, ERBB3 PKM 3221/4885L3MBTL1 4423/4885ALDH1A1 3796/4885

“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.

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