SCHEMBL2915191

SCHEMBL2915191

COC(=O)CC(=O)CC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 4/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 6/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TET2 Q6N021 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL12057423 0.89 GAA (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL27976 0.78 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL12787244 0.77 ALDH1A1 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL18026348 0.75 ALDH1A1 (0.47) GAATSHRPOLBALDH1A1LMNA
SCHEMBL15688315 0.75 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL6933557 0.73 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL3181863 0.73 ALDH1A1 (0.43) GAATSHRPOLBALDH1A1LMNA
SCHEMBL8248295 0.72 RECQL (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL7821951 0.70 TSHR (0.46) GAATSHRPOLBALDH1A1LMNA
SCHEMBL1014529 0.70 MGAM (0.46) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2181089-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES Ratiopharm GmbH (DE) 2010-05-05 EP disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 WO disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 WO disclosed
US-6657069-B2 Reacting 6-aminocarbonylmethyl-4H-2,3- dioxin-4-one compound with alcohol or water to produce 3-oxopentanedicarboxylic acid amide esters; decyclization DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-02 US disclosed
US-20030130519-A1 Amido compounds and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-10 US disclosed
US-6548674-B2 6-aminocarbonylmethyl-4H-1,3-dioxin-4-ones made by reacting a 6-halomethyl-4H-1,3-dioxin-4-ones with primary or secondary amine and carbon monoxide; intermediate to 3-oxopentanedicarboxylic acid amides for drugs, polyamides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20010023297-A1 Amido compounds and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-20 US disclosed
EP-1132386-A1 Amido compounds and process for producing the same Daicel Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20030130519-A1 Amido compounds and process for producing the same PAM, HAAO, DAO MGAM 1253/4885GAA 3393/4885SI 1183/4885
US-20010023297-A1 Amido compounds and process for producing the same PAM, HAAO, DAO MGAM 1253/4885GAA 3393/4885SI 1183/4885
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES HMGCR, DPYD, FDPS MGAM 1973/4885GAA 744/4885SI 236/4885

“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.