SCHEMBL3099156

SCHEMBL3099156

COC(=O)CCC(=O)C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5351732 0.86 TSHR (0.65) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL5357724 0.86 TSHR (0.58) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL10660024 0.80
Dimethyl Succinate SCHEMBL10213 0.79 TSHR (1.00) TSHRLMNAKDM4EALDH1A1HSD17B10
Dimethyl Succinate SCHEMBL28054469 0.79 TSHR (1.00) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL30082500 0.79 MCL1 (0.33)
SCHEMBL9173199 0.76 TSHR (0.62) TSHRLMNAKDM4EALDH1A1HSD17B10
Dimethyl Succinate SCHEMBL7778900 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1HSD17B10
Dimethyl Succinate SCHEMBL16798755 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1HSD17B10
Dimethyl Succinate SCHEMBL31389405 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256230-A1 1-BUTANE ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THE USE THEREOF SCHEBO BIOTECH AG (DE) 2010-10-07 US disclosed
US-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex EIGENBRODT ERICH 2007-10-11 US disclosed
US-7223784-B2 Compounds for the modulation of the glycolysis enzyme and/or transaminase complex ScheBo® Biotech AG (DE) 2007-05-29 US disclosed
US-20040266873-A1 1-butane acid derivatives pharmaceutical compositions containing said derivatives and the use thereof SCHEBO. BIOTECH AG (DE) 2004-12-30 US disclosed
US-20040152772-A1 1-butyric acid derivatives and the use thereof WARBURG GLYCOMED GMBH (DE) 2004-08-05 US disclosed
EP-1404322-A2 1-BUTANE ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THE USE THEREOF Schebo Biotech AG (DE) 2004-04-07 EP disclosed
EP-1377291-A2 1-BUTYRIC ACID DERIVATIVES SUCH AS CARBOMETHOXYPROPIONYL CYANIDE OR LEFLUNOMIDE DERIVATIVES, AND THE THERAPEUTIC USE THEREOF Protagen AG (DE) 2004-01-07 EP disclosed
WO-2002072527-A2 1-BUTYRIC ACID DERIVATIVES SUCH AS CARBOMETHOXYPROPIONYL CYANIDE OR LEFLUNOMIDE DERIVATIVES, AND THE THERAPEUTIC USE THEREOF PROTAGEN AKTIENGESELLSCHAFT (DE) 2002-09-19 WO disclosed
WO-2002072534-A2 1-BUTANE ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THE USE THEREOF EIGENBRODT ERICH (DE) 2002-09-19 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 (4 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-20040152772-A1 1-butyric acid derivatives and the use thereof GABRB1, BTN3A1, NFATC1 TSHR 1620/4885LMNA 4533/4885KDM4E 3649/4885
US-20040266873-A1 1-butane acid derivatives pharmaceutical compositions containing said derivatives and the use thereof CYP11B2, CYC1, GOT2 TSHR 4385/4885LMNA 869/4885KDM4E 3839/4885
US-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex PC, GOT1, PCK1 TSHR 3366/4885LMNA 2467/4885KDM4E 3602/4885
US-20100256230-A1 1-BUTANE ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THE USE THEREOF CYP11B2, CYC1, CYP11B1 TSHR 4237/4885LMNA 787/4885KDM4E 3694/4885

“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.