SCHEMBL2549518

SCHEMBL2549518

CCSCCCC(N)CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP2D6 P10635 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31
METAP2 P50579 3/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL29493444 0.86
SCHEMBL2553018 0.86
SCHEMBL2549508 0.85 CYP2D6 (0.34) TSHRCYP2D6SPHK1GMNNLMNA
SCHEMBL7300151 0.77
SCHEMBL2553768 0.77
SCHEMBL20959627 0.75
SCHEMBL11514662 0.75 BHMT (0.42)
SCHEMBL82804 0.74
SCHEMBL2705159 0.74
SCHEMBL42799 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556052-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
EP-2556051-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
US-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
WO-2011126130-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 WO disclosed
WO-2011126129-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 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 (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-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS AADAT, BCAT2, CBS TSHR 3457/4885CYP2D6 2086/4885SPHK1 3216/4885
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS CBS, CTH, BCAT2 TSHR 3739/4885CYP2D6 1944/4885SPHK1 3330/4885

“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.