SCHEMBL5361111

SCHEMBL5361111

NNC(=S)Nc1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
ALDH1A1 P00352 4/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MIF P14174 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALOX12 P18054 1/20 0.59
HTT P42858 1/20 0.59
IDO1 P14902 5/20 0.58
ALPL P05186 1/20 0.55
ALPG P10696 1/20 0.55

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
SCHEMBL11517562 0.86 CA1 (0.71) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL5695334 0.83 RAB9A (0.71) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL7556866 0.83 ALDH1A1 (0.79) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL687614 0.83 ALDH1A1 (0.69) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL27776624 0.83 RAB9A (0.76) RAB9ANPC1ALDH1A1POLBMEN1
SCHEMBL16918559 0.81 RAB9A (0.86) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL29971986 0.81 RAB9A (0.86) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL456985 0.79 ALDH1A1 (0.70) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL5210059 0.79 KMT2A (0.62) CA1CA2RAB9ANPC1MEN1
SCHEMBL23932088 0.78 KMT2A (0.66) CA2RAB9ANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241783-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
EP-1349613-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2005-09-21 EP disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-20040058990-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION 2004-03-25 US disclosed
EP-1349613-A2 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-10-08 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
WO-2002049413-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 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 (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-20040058990-A1 Thrombopoietin mimetics MPL, THPO, TEK CA1 4305/4885CA2 4643/4885RAB9A 3652/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CA1 4519/4885CA2 3937/4885RAB9A 3814/4885

“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.