SCHEMBL3018322

SCHEMBL3018322

O=P(O)(O)CSc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
POLB P06746 2/20 0.63
APEX1 P27695 2/20 0.63
RECQL P46063 1/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2D6 P10635 3/20 0.63
MAPK1 P28482 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C19 P33261 2/20 0.63
HIF1A Q16665 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALOX5 P09917 4/20 0.58
CYP2C9 P11712 1/20 0.56
STAT6 P42226 1/20 0.56
HTR1A P08908 1/20 0.56

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
SCHEMBL6063511 0.85 CYP1A2 (0.73) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL3687674 0.84 CYP1A2 (0.71) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL774785 0.78 CYP1A2 (0.73) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL2261407 0.78 POLB (0.77) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL2455625 0.78 ALDH1A1 (0.55) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL13629728 0.78 MAPT (1.00) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL5837665 0.78 CYP1A2 (1.00) MAPTPOLBAPEX1RECQLCYP1A2
Bromide SCHEMBL27846525 0.77 CYP1A2 (0.71) MAPTPOLBAPEX1RECQLCYP1A2
SCHEMBL21048429 0.76 ALOX5 (0.59) MAPTCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL1286369 0.76 POLB (0.79) MAPTPOLBAPEX1RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522394-B1 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2016-12-28 EP disclosed
US-8513219-B2 Substituted phosphonates and their use in decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) 2013-08-20 US disclosed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-08-12 US disclosed
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 EP disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 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-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates PSEN2, PSEN1, APP MAPT 4/4885POLB 2049/4885APEX1 2951/4885

“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.