SCHEMBL14416995

SCHEMBL14416995

CCC(C)(C)SCC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OC)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PSENEN Q9NZ42 5/20 0.40
▸ CTSK P43235 4/20 0.38
▸ CTSS P25774 3/20 0.38
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CTSD P07339 2/20 0.37
▸ REN P00797 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CTSL P07711 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
SCHEMBL13640317 0.83 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL2408130 0.82 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL2408132 0.82 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL14416977 0.80 PSENEN (0.42) PSENENCTSKCTSSPSEN1PSEN2
SCHEMBL10538884 0.77 SMN1; SMN2 (0.41) PSENENCTSKCTSSPSEN1PSEN2
SCHEMBL3058483 0.77 CTSK (0.41) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL1486171 0.76 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB
SCHEMBL22527163 0.76 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB
SCHEMBL8048104 0.76 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB
SCHEMBL5886446 0.76 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB

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-8637578-B2 Reagents and methods for the formation of disulfide bonds and the glycosylation of proteins ISIS INNOVATION LIMITED (GB) 2014-01-28 — — US disclosed
US-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins ISIS INNOVATION LIMITED (GB) 2007-09-13 — — 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 (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-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins SCLY, PTMS, TST CYP1A2 4215/4885CYP2C9 2772/4885CYP2C19 3732/4885

“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.

Send feedback