SCHEMBL6153697

SCHEMBL6153697

[NH]c1cccc(SCc2ccccc2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DPP4 P27487 1/20 0.41
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
FOLH1 Q04609 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL4955280 0.81 DPP4 (0.44) CA12CA1CA2CA9DPP4
SCHEMBL6154702 0.79 MAOA (0.42) KMT2ANPC1RAB9ASMN1; SMN2LMNA
Isothiocyanate SCHEMBL4959827 0.78 DPP4 (0.43) CA12CA1CA2CA9DPP4
SCHEMBL4959824 0.75 MIF (0.41) CA12CA1CA2CA9DPP4
SCHEMBL6662388 0.72 CA12 (0.41) CA12CA1CA2CA9DPP4
SCHEMBL6154720 0.71 IDO1 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL775057 0.69 DPP4 (0.58) CA12CA1CA2CA9DPP4
SCHEMBL776889 0.69 DPP4 (0.58) CA12CA1CA2CA9DPP4
SCHEMBL5108266 0.69 ALDH1A1 (0.46) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19973146 0.67 MAOA (0.51) CA12CA1CA2CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CA12 4547/4885CA1 4519/4885CA2 3937/4885

“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.