SCHEMBL16450505

SCHEMBL16450505

CC(C)(C)C(CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ENPEP Q07075 4/20 0.37
CPB2 Q96IY4 3/20 0.37
FOLH1 Q04609 1/20 0.34
ACE P12821 1/20 0.34
RNPEP Q9H4A4 1/20 0.32
CPN1 P15169 1/20 0.31

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
SCHEMBL31026113 0.81 PTGS1 (0.31) PTGS1SLC7A11MAPTKDM4ETHRB
SCHEMBL28651642 0.78 SLC1A3 (0.36) PTGS1MAPTALDH1A1RNPEP
SCHEMBL2631146 0.76 CA2 (0.41) PTGS1MAPTBLMALDH1A1
SCHEMBL667279 0.76 OR51E2 (0.39) PTGS1MAPTALDH1A1
SCHEMBL13316605 0.76 OR51E2 (0.39) PTGS1MAPTALDH1A1
SCHEMBL12891264 0.76 CA2 (0.41) PTGS1MAPTBLMALDH1A1
SCHEMBL276534 0.76 CA2 (0.41) PTGS1MAPTBLMALDH1A1
SCHEMBL10501109 0.75 CYP3A4 (0.31) NFKB1
SCHEMBL4874581 0.75 PTGS1 (0.37) PTGS1SLC7A11MAPTKDM4ETHRB
SCHEMBL636537 0.74 GABRR1 (0.37) PTGS1MAPTKDM4EALDH1A1CPB2

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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2018-04-19 US disclosed
US-9884123-B2 Ligand-targeted molecules and methods thereof INVICTUS ONCOLOGY PVT. LTD. (IN) 2018-02-06 US disclosed
US-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-02-12 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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC PTGS1 1526/4885SLC7A11 275/4885MAPT 3225/4885
US-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC PTGS1 1878/4885SLC7A11 314/4885MAPT 3130/4885

“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.