SCHEMBL5452737

SCHEMBL5452737

NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.75
CA2 P00918 7/20 0.75
CA9 Q16790 6/20 0.75
PLK1 P53350 1/20 0.67
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
RAB9A P51151 1/20 0.65
THRB P10828 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64

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
SCHEMBL18606715 0.86 CA1 (1.00) CA1CA2CA9PLK1ALDH1A1
SCHEMBL18606680 0.84 ALDH1A1 (0.74) CA1CA2CA9PLK1ALDH1A1
SCHEMBL5445610 0.84 MAPT (0.71) ALDH1A1KMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL3717975 0.83 BCAT2 (0.72) CA1CA2CA9ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3717981 0.83 SIRT2 (0.60) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL5453541 0.83 ALDH1A1 (0.79) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL14095964 0.82 EPHX1 (0.63) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL14095975 0.82 SIRT2 (0.60) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL14095963 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL18606704 0.81 CA1 (0.76) CA1CA2CA9PLK1ALDH1A1

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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 (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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 CA1 4355/4885CA2 3158/4885CA9 4031/4885

“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.