SCHEMBL1870930

SCHEMBL1870930

O=C(CCSSc1ccccn1)NCCCCC(C(=O)OS(=O)(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HDAC1 Q13547 14/20 0.38
HDAC2 Q92769 14/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL327593 0.89 HPGD (0.44) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL15994284 0.82 HPGD (0.38) HPGDHDAC1HDAC2ALDH1A1HSD17B10
SCHEMBL28851780 0.79 HPGD (0.55) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL16279734 0.79 HCRTR1 (0.33) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16279731 0.79 RAB9A (0.38) HPGDHDAC3HDAC6ALDH1A1LMNA
SCHEMBL155342 0.78 HPGD (0.57) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL29380577 0.78 HPGD (0.57) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL19444563 0.77 HPGD (0.56) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL31005444 0.77 HPGD (0.42) HPGDHDAC1HDAC2HDAC3HDAC4
SCHEMBL43173 0.77 HPGD (0.42) HPGDHDAC1HDAC2HDAC3HDAC4

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
EP-2496265-A1 VACCINE COMPOSITIONS AND METHODS OF USE Orbis Health Solutions LLC (US) 2012-09-12 EP disclosed
WO-2011053331-A1 VACCINE COMPOSITIONS AND METHODS OF USE ORBIS HEALTH SOLUTIONS LLC (US) 2011-05-05 WO disclosed
US-20100111985-A1 VACCINE COMPOSITIONS AND METHODS OF USE ORBIS HEALTH SOLUTIONS, LLC 2010-05-06 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-20100111985-A1 VACCINE COMPOSITIONS AND METHODS OF USE CD47, MYD88, CD14 HPGD 1879/4885HDAC1 4541/4885HDAC2 4574/4885

“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.