SCHEMBL130047

SCHEMBL130047

CCOC(=O)CC(=O)NCCn1cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL131411 0.88 GAA (0.46) GAANPSR1TSHRALDH1A1MAPK1
SCHEMBL130964 0.79 EGLN1 (0.47) GAANPSR1TSHRALDH1A1MAPK1
SCHEMBL11492453 0.76 CASP2 (0.48) GAATSHRHPGDHSD17B10MTNR1A
SCHEMBL8036307 0.75 NPSR1 (0.47) GAAMGAMSIMGAM2NPSR1
SCHEMBL16610100 0.75 TSHR (0.53) GAATSHRHPGDHSD17B10HTT
SCHEMBL4578702 0.73 GAA (0.56) GAAMGAMSIMGAM2TSHR
SCHEMBL4578705 0.73 GAA (0.56) GAAMGAMSIMGAM2TSHR
SCHEMBL3220536 0.73 GAA (0.56) GAAMGAMSIMGAM2TSHR
SCHEMBL130028 0.73 TSHR (0.47) GAATSHRHPGDHSD17B10LMNA
SCHEMBL2755864 0.73 HPGD (0.47) TSHRALDH1A1HPGDHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 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 (2 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R GAA 4456/4885MGAM 4749/4885SI 2570/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 GAA 4385/4885MGAM 3763/4885SI 2969/4885

“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.