Sugi Predict

Sugi Predict / Compounds / SCHEMBL5579005

SCHEMBL5579005

SCHEMBL5579005

ClCCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.55
▸ LTA4H P09960 7/20 0.53
▸ PPARG P37231 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ PLAAT3 P53816 1/20 0.48
▸ PLAAT5 Q96KN8 1/20 0.48
▸ PLAAT2 Q9NWW9 1/20 0.48
▸ PLAAT4 Q9UL19 1/20 0.48
▸ SRD5A2 P31213 1/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ FDFT1 P37268 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47

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
SCHEMBL6298481 0.92 FFAR1 (0.42) FFAR1LTA4HPPARGFFAR4PLAAT3
SCHEMBL8497351 0.88 FFAR1 (0.58) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL19322272 0.87 FFAR1 (0.62) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL2201304 0.87 FFAR1 (0.62) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL19322285 0.85 FFAR1 (0.60) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL19322273 0.85 FFAR1 (0.60) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL19322269 0.85 FFAR1 (0.60) FFAR1LTA4HPPARGFFAR4TSHR
SCHEMBL12040543 0.83 FFAR1 (0.58) FFAR1LTA4HTSHRPLAAT3PLAAT5
SCHEMBL9799443 0.83 FDFT1 (0.51) FFAR1FFAR4FDFT1
SCHEMBL19322270 0.83 LTA4H (0.67) FFAR1LTA4HFFAR4TSHRPLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007588-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING GEORGETOWN UNIVERSITY (US) 2017-01-12 — — US disclosed
US-9359299-B2 Small molecules for treating breast cancer GEORGETOWN UNIVERSITY (US) 2016-06-07 — — US disclosed
US-20140088148-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING GEORGETOWN UNIVERSITY (US) 2014-03-27 — — US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 — — EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 — — 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 (3 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-20170007588-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING XBP1, RBM17, ERN2 FFAR1 3030/4885LTA4H 3860/4885PPARG 1710/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA FFAR1 55/4885LTA4H 2124/4885PPARG 1/4885
US-20140088148-A1 SMALL MOLECULE INHIBITORS OF XBP1 SPLICING XBP1, RBM17, ERN2 FFAR1 3091/4885LTA4H 4005/4885PPARG 1673/4885

“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.