SCHEMBL3264994

SCHEMBL3264994

CC(C)(CS(=O)(=O)O)NC(=O)[C@@H](N)CO.[NaH]

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
DNMT1 P26358 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5415901 0.98 APAF1 (0.31) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL5415894 0.98 APAF1 (0.31) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL19423969 0.82 DPP4 (0.34) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL3264990 0.82 POLB (0.44) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL3264987 0.82 POLB (0.44) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL9287069 0.79 SPHK1 (0.31)
SCHEMBL12189940 0.78 ALDH1A1 (0.33) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL19620188 0.77 POLB (0.31) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL23559897 0.75 CA1 (0.33) APAF1POLBGRK2DNMT1PTPN7
SCHEMBL19222188 0.75 POLB (0.31) APAF1POLBGRK2DNMT1PTPN7

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-20100178260-A1 COMPOSITION COMPRISING A RETINOID, AN ADENOSINE-BASED NONPHOSPHATED COMPOUND, AND A SEMICRYSTALLINE POLYMER L'OREAL (FR) 2010-07-15 US disclosed
WO-1995032356-A1 ADDITIVES AND METHOD FOR CONTROLLING CLATHRATE HYDRATES IN FLUID SYSTEMS COLORADO SCHOOL OF MINES (US) 1995-11-30 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-20100178260-A1 COMPOSITION COMPRISING A RETINOID, AN ADENOSINE-BASED NONPHOSPHATED COMPOUND, AND A SEMICRYSTALLINE POLYMER RARA, RBP4, RBP1 APAF1 1708/4885POLB 174/4885GRK2 3806/4885

“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.