Sugi Predict

Sugi Predict / Compounds / SCHEMBL4085908

SCHEMBL4085908

SCHEMBL4085908

CCOC(Cc1ccc(NC(=O)OCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ NPY4R P50391 9/20 0.35
▸ NPY1R P25929 6/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPY2R P49146 4/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
Arginine SCHEMBL4076394 0.91 PPARA (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
Arginine SCHEMBL4085902 0.91 PPARA (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4073286 0.90 PPARG (0.44) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4081916 0.86 PPARG (0.44) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4076714 0.83 PPARG (0.40) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4073315 0.83 MTNR1A (0.38) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4073436 0.82 PPARG (0.56) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4076396 0.82 PPARG (0.41) PPARGPPARANPY4RNPY1RNPY2R
SCHEMBL4082101 0.80 PPARA (0.67) PPARGPPARANPC1RAB9ASMN1; SMN2
Arginine SCHEMBL4073279 0.80 PPARA (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 — — US claimed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 — — US claimed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 — — US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 — — 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 PPARG 172/4885PPARA 182/4885NPY4R 714/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 PPARG 169/4885PPARA 179/4885NPY4R 652/4885

“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.