SCHEMBL21176167

SCHEMBL21176167

CC(NC(=O)c1ccccc1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSK P43235 2/20 0.54
CTSS P25774 1/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX1 P07099 1/20 0.47
BCHE P06276 3/20 0.46
HDAC3 O15379 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
LMNA P02545 1/20 0.45
OPRK1 P41145 1/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL19975354 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CTSLCTSBCTSK
SCHEMBL19974729 0.96 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CTSLCTSBCTSK
SCHEMBL19975275 0.94 F10 (0.47) ALDH1A1SMN1; SMN2CTSLCTSBCTSK
SCHEMBL19975439 0.88 ALDH1A1 (0.53) ALDH1A1CTSLCTSBCTSSMMP13
SCHEMBL19975144 0.82 MAPK14 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMMP13
SCHEMBL19974941 0.81 POLB (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19975135 0.81 CTSL (0.52) ALDH1A1SMN1; SMN2CTSLKMT2ALMNA
SCHEMBL19975200 0.81 F10 (0.48) ALDH1A1SMN1; SMN2CTSLCTSBCTSK
SCHEMBL19974697 0.81 ATM (0.52) CTSLLMNA
SCHEMBL19975064 0.80 F10 (0.53) ALDH1A1MEN1KMT2ALMNA

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 ALDH1A1 2271/4885SMN1; SMN2 706/4885CTSL 899/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885SMN1; SMN2 1086/4885CTSL 958/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885SMN1; SMN2 706/4885CTSL 899/4885

“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.