SCHEMBL1503256

SCHEMBL1503256

O=C(NO)c1ncc(CS(=O)(=O)Cc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
HDAC6 Q9UBN7 5/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC1 Q13547 4/20 0.33
HDAC3 O15379 3/20 0.33
HDAC2 Q92769 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL2223523 0.87 USP2 (0.36) USP2LMNANPSR1TP53ALDH1A1
SCHEMBL2146957 0.85 HDAC6 (0.37) LMNAALDH1A1SMN1; SMN2HDAC6HDAC11
SCHEMBL1503241 0.84 HDAC1 (0.39) HDAC6HDAC11HDAC8HDAC1HDAC3
SCHEMBL12516709 0.82 HDAC1 (0.43) LMNAALDH1A1HDAC6HDAC11HDAC8
SCHEMBL1503203 0.82 L3MBTL1 (0.40) LMNAALDH1A1MAPTHDAC6HDAC11
SCHEMBL1503250 0.79 MMP1 (0.39) ALDH1A1EGLN1MEN1KMT2A
SCHEMBL30954811 0.79 MMP1 (0.39) ALDH1A1EGLN1MEN1KMT2A
SCHEMBL1503238 0.79 HDAC1 (0.49) ALDH1A1HDAC8HDAC1HDAC3HDAC2
SCHEMBL1503195 0.79 HCAR2 (0.36) HDAC6HDAC11HDAC8HDAC1HDAC3
SCHEMBL2216328 0.79 EGFR (0.41) HDAC6HDAC11HDAC8HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB USP2 4114/4885LMNA 719/4885NPSR1 3392/4885

“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.