SCHEMBL21176328

SCHEMBL21176328

CCCC(NS(=O)(=O)c1ccccc1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.47
NPY5R Q15761 1/20 0.45
MMP2 P08253 7/20 0.44
MMP9 P14780 7/20 0.44
MMP8 P22894 4/20 0.44
MMP12 P39900 4/20 0.44
MMP14 P50281 4/20 0.44
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21176234 0.91 GBA1 (0.49) GBA1NPY5RMMP2MMP9KMT2A
SCHEMBL19975409 0.83 GBA1 (0.51) SMN1; SMN2GBA1NPY5RKMT2APOLB
SCHEMBL19975283 0.79 CCR1 (0.49) SMN1; SMN2L3MBTL1
SCHEMBL19974771 0.78 KMT2A (0.47) SMN1; SMN2GBA1NPY5RMMP2MMP9
SCHEMBL21176241 0.78 KMT2A (0.46) SMN1; SMN2GBA1KMT2APOLBMEN1
SCHEMBL5875648 0.77 SMN1; SMN2 (0.64) SMN1; SMN2MMP2MMP9MMP8MMP12
SCHEMBL5189435 0.77 SMN1; SMN2 (0.64) SMN1; SMN2MMP2MMP9MMP8MMP12
SCHEMBL7655438 0.74 GBA1 (0.55) GBA1MMP2MMP9MMP8MMP12
SCHEMBL19974825 0.73 KMT2A (0.49) SMN1; SMN2GBA1NPY5RKMT2APOLB
SCHEMBL19975337 0.72 KMT2A (0.54) SMN1; SMN2GBA1NPY5RKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885GBA1 68/4885NPY5R 4477/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885GBA1 81/4885NPY5R 4656/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885GBA1 68/4885NPY5R 4477/4885

“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.