Sugi Predict

Sugi Predict / Compounds / SCHEMBL6429385

SCHEMBL6429385

SCHEMBL6429385

CCCCCCCN(CCN1C(=O)COc2ccccc21)c1ccc(CC(OCC)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ GLA P06280 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL4859318 0.93 PPARG (0.54) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL12665701 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL27592218 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL1857951 0.79 CNR2 (0.39) L3MBTL1NPSR1PPARGPPARA
SCHEMBL6529670 0.76 PPARG (0.48) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL5101768 0.74 PPARG (0.62) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL5103870 0.72 PPARG (0.76) PPARGPPARA
SCHEMBL15423258 0.70 DRD2 (0.56) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL6656017 0.70 PPARA (0.48) PPARGPPARA
SCHEMBL4878974 0.69 PPARG (0.51) PPARGPPARA

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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 — — US claimed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 — — EP claimed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 — — WO claimed
US-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds REDDY'S LABORATORIES INC. 2011-05-05 — — US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 — — 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-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds PCCA, ADRA1B, ADRA2B KMT2A 4596/4885ALDH1A1 221/4885MEN1 3566/4885
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 KMT2A 2876/4885ALDH1A1 1644/4885MEN1 4396/4885

“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.