SCHEMBL5129490

SCHEMBL5129490

CNC(=S)Nc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 3/20 0.63
MASP2 O00187 1/20 0.63
ABCC1 P33527 6/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL3353110 0.84 KDM4E (0.66) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL10827700 0.83 LMNA (0.72) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL31212658 0.82 CA1 (0.71) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL5455412 0.82 CA1 (0.71) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL8686791 0.81 ALDH1A1 (0.70) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL14906959 0.81 MASP2 (0.67) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL742429 0.79 NPSR1 (0.67) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL11681834 0.79 ALDH1A1 (0.59) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3627546 0.78 MASP2 (0.62) KDM4EALDH1A1POLBKMT2AMASP2
SCHEMBL25054195 0.77 MASP2 (1.00) KDM4EALDH1A1POLBKMT2AMASP2

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
US-12173185-B1 Selenated thiourea-based hybrid compounds as corrosion inhibitors for steel pipelines King Faisal University (SA) 2024-12-24 US claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US disclosed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 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 (2 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-12173185-B1 Selenated thiourea-based hybrid compounds as corrosion inhibitors for steel pipelines TST, SCLY, SELENOI KDM4E 3986/4885ALDH1A1 2213/4885POLB 324/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 KDM4E 3054/4885ALDH1A1 2178/4885POLB 656/4885

“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.