SCHEMBL4758550

SCHEMBL4758550

CCOC(=O)CC(=O)c1ccc(Br)c(O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR4 O95977 1/20 0.37

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
SCHEMBL7501566 0.90 MGAM (0.41) MIFGAAMGAMSIMGAM2
SCHEMBL7508162 0.88 MGAM (0.40) MIFGAAMGAMSIMGAM2
SCHEMBL7503032 0.86 MIF (0.38) MIFGAAMGAMSIMGAM2
SCHEMBL589507 0.85 KMT2A (0.51) MIFGAAMGAMSIMGAM2
SCHEMBL7502265 0.83 SOS1 (0.41) MIFGAAMGAMSIMGAM2
SCHEMBL7506686 0.81 KMT2A (0.39) MIFGAAMGAMSIMGAM2
SCHEMBL31330878 0.81 F2R (0.45) MIFGAAMGAMSIMGAM2
SCHEMBL312535 0.80 CES2 (0.47) MIFGAAMGAMSIMGAM2
SCHEMBL21857955 0.79 F2R (0.44) MIFGAAMGAMSIMGAM2
SCHEMBL24047677 0.77 GAA (0.40) MIFGAAMGAMSIMGAM2

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 8 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-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
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
EP-1848723-B1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-12-15 EP 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 MIF 213/4885GAA 2565/4885MGAM 3849/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL MIF 179/4885GAA 2608/4885MGAM 3732/4885

“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.