SCHEMBL4758566

SCHEMBL4758566

CCOC(=O)/C(C(=NC1CC1)SC)=C(\O)c1ccc(Br)c(OC)c1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12301273 1.00 CA1 (0.32) CA1CA2CA9CA12MAPT
SCHEMBL10188265 0.90 MAPT (0.32) MAPTMEN1KMT2AGAAATM
SCHEMBL10188248 0.85 GAA (0.32) MAPTGAAATM
SCHEMBL10211387 0.81 MAPT (0.35) CA1CA2CA9CA12MAPT
SCHEMBL608659 0.78 MEP1B (0.30)
SCHEMBL591048 0.76 ERN1 (0.33) CA1CA2CA9CA12MAPT
SCHEMBL607656 0.72 NR1H2 (0.32)
SCHEMBL5732552 0.70 CA1 (0.31) CA1CA2CA9CA12MAPT
SCHEMBL591047 0.69 MEN1 (0.31) MAPTMEN1USP2ALOX15KMT2A
SCHEMBL608658 0.66

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
EP-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 EP disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 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 (2 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-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 CA1 4631/4885CA2 2696/4885CA9 1896/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL CA1 4477/4885CA2 2508/4885CA9 1657/4885

“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.