SCHEMBL2050169

SCHEMBL2050169

O=C(ON1C(=O)CCC1=O)C(c1ccc(CSSc2ccccn2)cc1)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 5/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2050166 0.85 HDAC1 (0.31) HDAC1HDAC2LMNA
SCHEMBL43414 0.81 POLB (0.41) POLBHDAC1HDAC2NPC1RAB9A
SCHEMBL342420 0.80 POLB (0.45) POLBHDAC1HDAC2NPC1RAB9A
SCHEMBL18084525 0.79 EHMT2 (0.36) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL18726574 0.79 HDAC1 (0.37) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL29353376 0.79 HDAC1 (0.37) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL574827 0.79 HDAC1 (0.37) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL2435515 0.78 POLB (0.41) POLBHDAC1HDAC2NPC1RAB9A
SCHEMBL18726765 0.77 HDAC1 (0.40) HDAC1HDAC2ALDH1A1LMNA
SCHEMBL9904994 0.73 HDAC1 (0.36) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846080-B2 Vaccine GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2014-09-30 US disclosed
US-20110159081-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. 2011-06-30 US disclosed
WO-2003104424-A2 NOVEL MOLECULAR CONJUGATES FOR SIGNAL AMPLIFICATION THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-18 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-20110159081-A1 VACCINE LY96, CD47, CD74 POLB 3385/4885HDAC1 2639/4885HDAC2 2838/4885

“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.