SCHEMBL2553371

SCHEMBL2553371

CCCCSC(C)CCCC(N)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
OPRM1 P35372 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32

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
SCHEMBL7002279 0.77 ROCK2 (0.38) EPHX1TP53LMNAOPRM1ALDH1A1
SCHEMBL7001679 0.76
SCHEMBL82804 0.76
SCHEMBL42799 0.76
SCHEMBL2705159 0.76
Alcohol SCHEMBL8666140 0.74 ALDH1A1 (0.48) CYP2D6SPHK1TP53LMNAGMNN
Hydrochloric Acid SCHEMBL18130922 0.74
SCHEMBL608547 0.74
Hydrochloric Acid SCHEMBL9442918 0.74
Hydrochloric Acid SCHEMBL1996871 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 3 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
US-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 US disclosed
WO-2011126130-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 (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-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS AADAT, BCAT2, CBS EPHX1 2876/4885CYP2D6 2086/4885SPHK1 3216/4885

“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.