SCHEMBL3278313

SCHEMBL3278313

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL3314248 0.92 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8513088 0.87 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL344597 0.86 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL344596 0.86 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3965105 0.84 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4835256 0.80 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4831221 0.80 GAA (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28085757 0.79 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14037330 0.78 CYP1A2 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3508859 0.78 L3MBTL1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
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-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 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
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (6 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA HDAC3 685/4885HDAC1 680/4885HDAC2 799/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA HDAC3 685/4885HDAC1 680/4885HDAC2 799/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA HDAC3 932/4885HDAC1 677/4885HDAC2 1031/4885
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD HDAC3 2142/4885HDAC1 2219/4885HDAC2 2340/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD HDAC3 2190/4885HDAC1 2179/4885HDAC2 2321/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH HDAC3 2138/4885HDAC1 2079/4885HDAC2 2111/4885

“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.