SCHEMBL9985663

SCHEMBL9985663

C=C(C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.69
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
PTGS2 P35354 1/20 0.64
THPO P40225 1/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ACE P12821 1/20 0.53
FOLH1 Q04609 3/20 0.46
ALDH1A1 P00352 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 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
SCHEMBL9984709 1.00 TGFBR1 (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL31038389 0.98 TGFBR1 (0.67) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL29285205 0.98 TGFBR1 (0.67) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL13659830 0.83 MAPT (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL3395647 0.83 KDM4E (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL3395639 0.83 KDM4E (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL18306374 0.83 MAPT (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL4984856 0.83 KDM4E (0.67) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL8378528 0.82 TGFBR1 (0.52) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL5891585 0.82 TGFBR1 (1.00) TGFBR1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271219-A Novel zwitterionic modified PET film and preparation method thereof 南京师范大学 2024-07-02 CN claimed
WO-2013063772-A1 IMPRINTED PHOTONIC POLYMERS AND METHODS FOR THEIR PREPARATION AND USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-05-10 WO claimed
US-20110311505-A1 Photosensitive Aminoacid-Monomer Linkage and Bioconjugation Applications in Life Sciences and Biotechnology Say, Ridvan (TR) 2011-12-22 US claimed
CN-118271219-A Novel zwitterionic modified PET film and preparation method thereof 南京师范大学 2024-07-02 CN disclosed
US-10683378-B2 Imprinted polymer and method for preparing the same UNIVERSITE DE TOULON (FR) 2020-06-16 US disclosed
EP-2935376-B1 IMPRINTED POLYMER AND METHOD FOR PREPARING SAME UNIV DE TOULON (FR) 2019-06-12 EP disclosed
US-20150344607-A1 IMPRINTED POLYMER AND METHOD FOR PREPARING THE SAME UNIVERSITE DE TOULON (FR) 2015-12-03 US disclosed
EP-2935376-A1 IMPRINTED POLYMER AND METHOD FOR PREPARING SAME Université de Toulon (FR) 2015-10-28 EP disclosed
WO-2014097248-A1 IMPRINTED POLYMER AND METHOD FOR PREPARING SAME UNIVERSITE DE TOULON (FR) 2014-06-26 WO disclosed
US-20140065226-A1 THERMO-RESPONSIVE HYDROGEL COMPOSITIONS BREY ERIC (US) 2014-03-06 US disclosed
EP-2683407-A1 THERMO-RESPONSIVE HYDROGEL COMPOSITIONS CIS Pharma AG (CH) 2014-01-15 EP disclosed
WO-2013063772-A1 IMPRINTED PHOTONIC POLYMERS AND METHODS FOR THEIR PREPARATION AND USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-05-10 WO disclosed
WO-2012123275-A1 THERMO-RESPONSIVE HYDROGEL COMPOSITIONS CHEMISCHES INSTITUT SCHAEFER (CH) 2012-09-20 WO disclosed
US-20120231072-A1 THERMO-RESPONSIVE HYDROGEL COMPOSITIONS CHEMISCHES INSTITUT SCHAEFER AG (CH) 2012-09-13 US disclosed
US-20110311505-A1 Photosensitive Aminoacid-Monomer Linkage and Bioconjugation Applications in Life Sciences and Biotechnology Say, Ridvan (TR) 2011-12-22 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-20110311505-A1 Photosensitive Aminoacid-Monomer Linkage and Bioconjugation Applications in Life Sciences and Biotechnology BCAT1, BCAT2, AADAT TGFBR1 3268/4885KDM4E 3321/4885MAPT 49/4885

“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.