SCHEMBL7159485

SCHEMBL7159485

C[C@H]1CCC[C@@H](NC(=S)NCCO)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 4/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.37

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
SCHEMBL7155921 1.00 PKM (0.50) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL7155917 1.00 PKM (0.50) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL7155915 1.00 PKM (0.50) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL7159492 1.00 PKM (0.50) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL21560404 0.83 KMT2A (0.60) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL7153461 0.80 ALDH1A1 (0.68) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL5878686 0.79 PKM (0.64) PKMALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5878791 0.79 PKM (0.64) PKMALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5878752 0.77 KMT2A (0.53) PKMALDH1A1POLBRECQLKMT2A
SCHEMBL16907743 0.75 S1PR4 (0.37)

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-6534542-B2 For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity ALLERGEN SALES, INC. 2003-03-18 US disclosed
US-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ALLERGAN SALES, INC. 2002-10-31 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-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ADRA2B, ADRB2, ADRA2C PKM 3198/4885ALDH1A1 160/4885POLB 2874/4885

“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.