Sugi Predict

Sugi Predict / Compounds / SCHEMBL1421364

SCHEMBL1421364

SCHEMBL1421364

COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.74
▸ PTPN1 P18031 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.68
▸ CFTR P13569 3/20 0.61
▸ MEN1 O00255 9/20 0.61
▸ KMT2A Q03164 9/20 0.61
▸ POLB P06746 6/20 0.61
▸ CACNA1B Q00975 2/20 0.61
▸ APBA1 Q02410 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ DUSP3 P51452 2/20 0.61
▸ APAF1 O14727 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ AGTR1 P30556 1/20 0.61
▸ EIF4H Q15056 1/20 0.61
▸ NOD1 Q9Y239 1/20 0.59
▸ HSD17B3 P37058 1/20 0.55
▸ GRK6 P43250 1/20 0.54
▸ PTPN7 P35236 2/20 0.53

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
SCHEMBL3761481 1.00 PTPN2 (0.74) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL29525393 1.00 PTPN2 (0.74) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL1421366 1.00 PTPN2 (0.74) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL2837903 0.93 PTPN2 (0.81) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL2837901 0.93 PTPN2 (0.81) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL2837896 0.93 PTPN2 (0.81) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL14119097 0.92 PTPN2 (0.63) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL12315855 0.90 TDP1 (0.67) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL14118891 0.87 CFTR (0.64) PTPN2PTPN1TDP1CFTRMEN1
SCHEMBL4955393 0.85 PTPN2 (1.00) PTPN2PTPN1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2011-04-28 — — US claimed
EP-2296476-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION Microbiotix, Inc. (US) 2011-03-23 — — EP claimed
WO-2009142720-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2009-11-26 — — WO claimed
US-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2011-04-28 — — US disclosed
US-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2011-04-28 — — US disclosed
US-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2011-04-28 — — US disclosed
EP-2296476-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION Microbiotix, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009142720-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2009-11-26 — — WO disclosed
WO-2009142720-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2009-11-26 — — 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-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION BLVRB, TFPI, FOSB PTPN2 3069/4885PTPN1 3001/4885TDP1 3036/4885

“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.