SCHEMBL4959824

SCHEMBL4959824

S=C=Nc1cccc(SCc2ccccc2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DPP4 P27487 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
P2RY6 Q15077 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL6153598 0.81 MIF (0.43) MIFHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL6154789 0.80 MIF (0.48) MIFHSD17B10KMT2AMEN1ALDH1A1
Isothiocyanate SCHEMBL4959827 0.77 DPP4 (0.43) CA12CA1CA2CA9DPP4
SCHEMBL4955280 0.75 DPP4 (0.44) CA12CA1CA2CA9DPP4
SCHEMBL6153697 0.75 CA12 (0.41) CA12CA1CA2CA9DPP4
SCHEMBL6153768 0.70 MIF (0.43) MIFHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL31295587 0.69 MIF (0.64) MIFHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL6154843 0.69 MAOB (0.52) MIFKMT2AMEN1ALDH1A1MAPT
SCHEMBL6154720 0.68 IDO1 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL1457560 0.67 MIF (0.48) MIFHSD17B10KMT2AMEN1ALDH1A1

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-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP disclosed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US disclosed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO 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
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (3 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MIF 3996/4885CA12 4547/4885CA1 4519/4885
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 MIF 1865/4885CA12 4728/4885CA1 3729/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 MIF 1865/4885CA12 4728/4885CA1 3729/4885

“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.