SCHEMBL17752144

SCHEMBL17752144

CCCC(=O)NCCSCCSCCSCCNC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.50
CASP2 P42575 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
STAT3 P40763 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.39
CTSD P07339 1/20 0.39
FAAH O00519 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR1 Q92633 1/20 0.37

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
SCHEMBL17633836 0.86 MEN1 (0.54) GBA1CASP2MEN1KMT2ATSHR
SCHEMBL20920841 0.85 GBA1 (0.41) GBA1CASP2MEN1KMT2ATSHR
SCHEMBL16405256 0.85 CASP2 (0.60) GBA1CASP2TSHRHPGDNAAA
SCHEMBL12673157 0.83 CASP2 (0.61) CASP2MEN1KMT2AHPGDHDAC3
SCHEMBL20920850 0.82 GBA1 (0.41) GBA1CASP2MEN1KMT2ATSHR
SCHEMBL24533703 0.81 KMT2A (0.54) GBA1MEN1KMT2ATSHRHPGD
SCHEMBL16405258 0.80 GBA1 (0.47) GBA1CASP2TSHRHPGDHDAC3
SCHEMBL14976750 0.79 CASP2 (0.57) GBA1CASP2HPGDHDAC3HDAC1
SCHEMBL14241913 0.79 MEN1 (0.56) GBA1MEN1KMT2ATSHRHPGD
SCHEMBL7780945 0.79 CASP2 (0.48) GBA1CASP2TSHRHPGDHDAC3

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-10266809-B2 Polymer suitable for use in cell culture STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-04-23 US disclosed
US-20160137977-A1 POLYMER SUITABLE FOR USE IN CELL CULTURE STICHTING RADBOUD UNIVERSITEIT (NL) 2016-05-19 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-20160137977-A1 POLYMER SUITABLE FOR USE IN CELL CULTURE F13B, CD40, EPCAM GBA1 4664/4885CASP2 3255/4885MEN1 1297/4885
US-10266809-B2 Polymer suitable for use in cell culture F13B, CD40, EPCAM GBA1 4664/4885CASP2 3255/4885MEN1 1297/4885

“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.