SCHEMBL2629464

SCHEMBL2629464

COc1ccc2cc(S(=O)(=O)C(C)C)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 4/20 0.51
KDM4E B2RXH2 3/20 0.51
PLAU P00749 3/20 0.51
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS2 P35354 4/20 0.48
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
PKM P14618 1/20 0.47
AKR1C3 P42330 3/20 0.46

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
SCHEMBL12418684 0.87 ABL1 (0.50) L3MBTL1LMNAPKMAKR1C3AKR1C2
SCHEMBL4195254 0.83 PKM (0.61) PTGS2PKM
SCHEMBL13197241 0.81 ABL1 (0.46) L3MBTL1TSHRHSD17B10LMNASMN1; SMN2
SCHEMBL13588815 0.80 NFE2L2 (0.50)
SCHEMBL7503901 0.79 PTGS2 (0.64) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL13203350 0.79 AKR1C3 (0.56) L3MBTL1LMNASMN1; SMN2PTGS2AKR1C3
SCHEMBL2625200 0.79 LMNA (0.57) L3MBTL1TSHRLMNAPKM
SCHEMBL18007557 0.78 LMNA (0.60) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL4016085 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL3772670 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 MEN1 1549/4885KMT2A 2855/4885L3MBTL1 4053/4885

“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.