SCHEMBL1820643

SCHEMBL1820643

CCCS(=O)(=O)N1CCC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 7/20 0.45
GLA P06280 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6788785 0.88 MAPT (0.44) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL3310954 0.87 KMT2A (0.42) TSHRMAPTL3MBTL1KDM4EPKM
SCHEMBL23555007 0.82 L3MBTL1 (0.56) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL31030375 0.78 L3MBTL1 (0.49) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL178417 0.78 L3MBTL1 (0.49) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL4277869 0.76 L3MBTL1 (0.47) TSHRL3MBTL1KDM4EGLAGAA
SCHEMBL4573942 0.74 KMT2A (0.40)
SCHEMBL10192197 0.74 L3MBTL1 (0.50) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL75770 0.72 KDM4E (0.45) TSHRMAPTL3MBTL1KDM4EGLA
SCHEMBL4547019 0.72 ALDH1A1 (0.61) TSHRL3MBTL1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
EP-1942893-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 WO disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 WO 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 TSHR 2917/4885MAPT 362/4885L3MBTL1 1881/4885

“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.