SCHEMBL6541448

SCHEMBL6541448

OCCNC(=S)NC1CCC(O)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.42
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5878752 0.92 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7153461 0.83 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5878686 0.82 PKM (0.64) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5878791 0.82 PKM (0.64) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7156715 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7156719 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL27798450 0.74 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7155917 0.70 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7155915 0.70 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7159485 0.70 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381593-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS Allergan, Inc. (US) 2004-01-21 EP disclosed
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
WO-2002068384-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-09-06 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-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ADRA2B, ADRB2, ADRA2C KMT2A 1750/4885MEN1 4841/4885ALDH1A1 160/4885

“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.