SCHEMBL2599380

SCHEMBL2599380

CSc1sc(C(=O)NN)cc1-c1nc(C)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 1.00
PLAU P00749 9/20 0.67
C1S P09871 14/20 0.46
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL14841090 1.00 S100A4 (1.00) S100A4PLAUC1SPLGPLAT
SCHEMBL6926072 0.83 S100A4 (0.71) S100A4PLAUC1SPLGPLAT
SCHEMBL6921044 0.80 PLAU (1.00) S100A4PLAUC1SPLGPLAT
SCHEMBL6921283 0.69 C1S (0.78) PLAUC1SPLGPLATPRSS1
SCHEMBL6928432 0.67 C1S (0.69) S100A4PLAUC1SPLGPLAT
SCHEMBL6919968 0.67 C1S (0.73) S100A4PLAUC1SPLGPLAT
SCHEMBL6925416 0.67 C1S (0.79) PLAUC1SPLGPLATPRSS1
SCHEMBL7736128 0.67 PLAU (0.70) PLAUC1SPLGPLATPRSS1
SCHEMBL6921963 0.66 C1S (0.70) S100A4PLAUC1SPLGPLAT
SCHEMBL6922269 0.66 C1S (0.61) S100A4PLAUC1SPLGPLAT

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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US claimed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO claimed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 S100A4 1/4885PLAU 1535/4885C1S 4238/4885

“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.