SCHEMBL21086903

SCHEMBL21086903

CCOC(=O)C(CSSC(C)(C)C)NC(=O)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 19)

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
▸ METAP2 P50579 6/20 0.40
▸ METAP1 P53582 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CAD P27708 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 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
SCHEMBL21086976 0.89 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL21086900 0.89 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL19924329 0.82 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735070 0.75 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735054 0.74 CYP2C9 (0.38) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735314 0.73 METAP2 (0.35) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735361 0.73 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735330 0.72 CYP2C9 (0.36) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735067 0.72 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735313 0.72 METAP2 (0.34) CYP1A2CYP2C9CYP2C19HTTMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177355-A1 COMPOSITIONS COMPRISING REVERSIBLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF NOVO NORDISK A/S (DK) 2019-06-13 — — 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-20190177355-A1 COMPOSITIONS COMPRISING REVERSIBLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF GSS, GSR, RNMT CYP1A2 4654/4885CYP2C9 3232/4885CYP2C19 4121/4885

“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.

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