Sugi Predict

Sugi Predict / Compounds / SCHEMBL3553128

SCHEMBL3553128

SCHEMBL3553128

CCCc1cc(-c2nn(C)c3cc(OC)ccc23)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ DAO P14920 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
SCHEMBL13114536 0.92 NAMPT (0.36) NR1H2NR1H3KDM4EMAPTSMN1; SMN2
SCHEMBL3554183 0.91 NR1H2 (0.35) NR1H2NR1H3KDM4ESMN1; SMN2PPARG
SCHEMBL13114569 0.87 PPARG (0.41) NR1H2NR1H3KDM4EMAPTSMN1; SMN2
SCHEMBL3551052 0.86 FGFR2 (0.36) NR1H2NR1H3PRKACAPRKACGPRKACB
SCHEMBL13114528 0.85 PPARG (0.42) NR1H2NR1H3KDM4EPPARGHPGD
SCHEMBL5175340 0.81 PPARG (0.46) NR1H2NR1H3KDM4ESMN1; SMN2PPARG
SCHEMBL14459759 0.81 PPARG (0.46) NR1H2NR1H3KDM4ESMN1; SMN2PPARG
SCHEMBL3543482 0.81 HPGD (0.41) KDM4EMAPTHPGDCYP2C9ALDH1A1
SCHEMBL13114535 0.79 NAMPT (0.35) NR1H2NR1H3KDM4EPPARGCYP3A4
SCHEMBL13134027 0.79 FGFR2 (0.37) NR1H2NR1H3SMN1; SMN2PPARGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 — — 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 (1 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG NR1H2 17/4885NR1H3 42/4885PRKACA 1244/4885

“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.