SCHEMBL8239558

SCHEMBL8239558

CC(C)Nc1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.62
PTPRF P10586 2/20 0.62
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
IKBKB O14920 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PTPRA P18433 2/20 0.51

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
SCHEMBL14048862 0.89 POLB (0.59) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL2157471 0.87 MAPT (0.69) MAPTMEN1POLBKMT2AIKBKB
SCHEMBL612106 0.87 PTPN1 (0.48) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL17226314 0.83 PTPN1 (0.68) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL27653932 0.79 PTPN1 (0.62) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL2455311 0.79 PTPN1 (0.62) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL3070348 0.78 IKBKB (0.82) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL14950518 0.77 PTPN1 (0.45) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL14950514 0.77 PTPN1 (0.45) PTPN1PTPRFMAPTMEN1POLB
SCHEMBL6317621 0.77 PTPN1 (1.00) PTPN1PTPRFMAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP disclosed
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
WO-2007065829-A1 ANTIVIRAL NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PTPN1 1592/4885PTPRF 364/4885MAPT 1458/4885

“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.