SCHEMBL19974973

SCHEMBL19974973

CC(C)C(=O)N(C)C(C)C(=O)C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PTGIR P43119 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 2/20 0.31
CYP3A4 P08684 2/20 0.31
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
EPHX2 P34913 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL21176225 0.93 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL19975201 0.80 EPHX1 (0.44) TDP1ALOX15SMN1; SMN2ALDH1A1GAA
SCHEMBL13684869 0.79 TDP1 (0.48) TDP1ALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19975008 0.77 EPHX1 (0.44) SMN1; SMN2ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL19975418 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL19975178 0.76 PTGIR (0.43) SMN1; SMN2PTGIRALDH1A1CYP3A4
SCHEMBL19974762 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL19975197 0.74 TDP1 (0.37) TDP1SMN1; SMN2PTGIRALDH1A1GAA
SCHEMBL19974992 0.74 SMN1; SMN2 (0.40) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19975241 0.73 EPHX1 (0.40) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1

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 TDP1 1016/4885ALOX15 325/4885SMN1; SMN2 706/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885ALOX15 518/4885SMN1; SMN2 1086/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885ALOX15 325/4885SMN1; SMN2 706/4885

“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.