SCHEMBL4841280

SCHEMBL4841280

CCN(C(=O)C(CC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)OC(C)(C)C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.37
MLYCD O95822 1/20 0.35
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ABCB1 P08183 2/20 0.32
HPGD P15428 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HTT P42858 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL4840333 0.91 CA2 (0.35) GPR88MLYCDCA2CA9CTSS
SCHEMBL4840808 0.91 CA2 (0.35) GPR88MLYCDCA2CA9LTB4R2
SCHEMBL4835720 0.86 MCHR1 (0.36) CA2CA9CYP3A4MEN1KMT2A
SCHEMBL4831400 0.85 CYP3A4 (0.38) GPR88MLYCDCA2CA9CYP3A4
SCHEMBL4838875 0.85 TRPV1 (0.34) GPR88CA2CA9CYP3A4CYP2C9
SCHEMBL4841261 0.80 ABCB1 (0.46) CA2CA9CTSSCTSKABCB1
SCHEMBL4841242 0.77 ALDH1A1 (0.38) GPR88MLYCDCA2CA9CTSS
SCHEMBL4838181 0.77 CYP3A4 (0.36) CA2CA9CYP3A4CYP2C9KCNH2
SCHEMBL4838038 0.76 USP2 (0.39) CTSSCTSKMMP2MEN1NPC1
SCHEMBL4837207 0.76 CYP3A4 (0.44) CA2CA9CYP3A4CYP2C9KCNH2

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 GPR88 953/4885MLYCD 195/4885CA2 333/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD GPR88 964/4885MLYCD 190/4885CA2 344/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH GPR88 965/4885MLYCD 191/4885CA2 366/4885

“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.