SCHEMBL13603271

SCHEMBL13603271

COC(=O)C(CC[S+](C)[O-])NC(=O)CBr

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC2 Q92769 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ BIRC2 Q13490 2/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL15107325 0.85 — —
SCHEMBL1129467 0.84 NOD1 (0.36) —
SCHEMBL20160296 0.82 KDM4E (0.35) L3MBTL1HDAC2USP2HDAC1HDAC6
SCHEMBL21184224 0.78 CA1 (0.32) —
SCHEMBL15107352 0.78 TAS1R3 (0.46) CYP2C9L3MBTL1HDAC2KMT2APOLB
SCHEMBL24335308 0.76 CTSK (0.44) CYP2C9HDAC1HDAC6
SCHEMBL16853383 0.73 HDAC2 (0.38) CYP2C9L3MBTL1HDAC2KMT2APOLB
SCHEMBL26257173 0.73 HDAC2 (0.38) CYP2C9L3MBTL1HDAC2KMT2APOLB
SCHEMBL15101812 0.71 CA1 (0.33) —
SCHEMBL15101810 0.71 CA14 (0.36) CYP2C9KMT2ATSHRBIRC2

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-8487128-B2 Protection of normal cells CHS PHARMA, INC. (US) 2013-07-16 — — US disclosed
US-20090326073-A1 PROTECTION OF NORMAL CELLS FLORIDA ATLANTIC UNIVERSITY 2009-12-31 — — 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-20090326073-A1 PROTECTION OF NORMAL CELLS ERCC1, ERCC2, XPA CYP2C9 1095/4885L3MBTL1 1715/4885HDAC2 2240/4885

“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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