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Sugi Predict / Compounds / SCHEMBL4831111

SCHEMBL4831111

SCHEMBL4831111

CC(C)(C)OC(=O)CC(CC(=O)OC(C)(C)C)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ DGAT1 O75907 1/20 0.33
▸ HMGCR P04035 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSK P43235 4/20 0.32
▸ CTSS P25774 3/20 0.32

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
SCHEMBL6761013 0.81 CYP2D6 (0.37) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL27485689 0.79 TSHR (0.36) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL9249667 0.79 ALDH1A1 (0.48) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL8129588 0.79 HMGCR (0.38) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL3798958 0.77 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL189917 0.77 GGT1 (0.41) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL4553890 0.77 DGAT1 (0.37) CYP2D6DGAT1HMGCRCHRM1TBXA2R
SCHEMBL21994378 0.77 EPHX2 (0.34) MEN1KMT2A
Hydrochloric Acid SCHEMBL10276467 0.76 KDM4E (0.34) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL27568297 0.76 TSHR (0.35) CYP2D6TSHRCYP2C19HIF1ADGAT1

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-7365091-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2008-04-29 — — US disclosed
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2006-12-21 — — US disclosed
US-7105539-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-09-12 — — US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 — — US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 — — EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 — — US disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 — — 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-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD CYP2D6 1738/4885TSHR 4496/4885CYP2C19 888/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD CYP2D6 1525/4885TSHR 4547/4885CYP2C19 790/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH CYP2D6 1504/4885TSHR 4541/4885CYP2C19 798/4885

“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.