SCHEMBL19974906

SCHEMBL19974906

CC(NS(=O)(=O)Cc1ccccc1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PRSS1 P07477 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CCR1 P32246 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL21176189 0.88 MEN1 (0.42) MEN1ALDH1A1KMT2ASIGMAR1MMP1
SCHEMBL19975409 0.82 GBA1 (0.51) MEN1ALDH1A1HTTKMT2A
SCHEMBL19975234 0.80 F2 (0.43) F2PRSS1MEN1ALDH1A1HTT
SCHEMBL28315296 0.79 USP2 (0.42) F2PRSS1ALDH1A1KMT2ASIGMAR1
SCHEMBL19974910 0.78 POLB (0.47) MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL21176241 0.77 KMT2A (0.46) MEN1ALDH1A1HTTKMT2ACA2
SCHEMBL19975391 0.77 ITGAV (0.45) ALDH1A1HTTKMT2ASLC1A3SLC1A2
SCHEMBL19975110 0.76 KMT2A (0.46) MEN1ALDH1A1KMT2ASLC1A3SLC1A2
SCHEMBL18697078 0.75 SLC1A3 (0.60) MEN1ALDH1A1HTTKMT2ASLC1A3
SCHEMBL7475872 0.75 SLC1A3 (0.60) MEN1ALDH1A1HTTKMT2ASLC1A3

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 7 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 F2 1396/4885PRSS1 347/4885MEN1 4331/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C F2 1243/4885PRSS1 433/4885MEN1 4361/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C F2 1396/4885PRSS1 347/4885MEN1 4331/4885

“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.