SCHEMBL13409006

SCHEMBL13409006

CCOC(=O)[C@@H]1C[C@H](S)CN1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.44
▸ ANPEP P15144 4/20 0.44
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ FKBP1A P62942 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CACNA1A O00555 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33

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
SCHEMBL4368576 0.82 ATM (0.59) MMP2ANPEPATMMAPTFKBP1A
SCHEMBL13408974 0.81 FKBP1A (0.38) MAPTFKBP1AKMT2AMEN1ALDH1A1
SCHEMBL13409004 0.77 MMP2 (0.41) MMP2ANPEPATMMAPTFKBP1A
SCHEMBL7348781 0.75 ATM (0.63) MMP2ANPEPATM
SCHEMBL7348775 0.75 ATM (0.63) MMP2ANPEPATM
SCHEMBL4367951 0.75 MMP2 (0.40) MMP2ANPEPATMMAPTFKBP1A
SCHEMBL18007438 0.73 HCAR2 (0.38) MMP2ANPEPATMMAPTFKBP1A
SCHEMBL18009336 0.71 MMP2 (0.42) MMP2ANPEPATMALDH1A1
SCHEMBL468912 0.70 FKBP1A (0.57) MAPTFKBP1AKMT2AMEN1ALDH1A1
SCHEMBL468914 0.70 FKBP1A (0.57) MAPTFKBP1AKMT2AMEN1ALDH1A1

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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives GALLEON PHARMACEUTICALS, INC. 2010-04-29 — — 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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives NNMT, BHMT2, SQOR MMP2 3986/4885ANPEP 2806/4885ATM 2679/4885

“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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