SCHEMBL19975026

SCHEMBL19975026

CCOC(=O)C(O)C(C)N(C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MMP8 P22894 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL19975259 0.86 PIN1 (0.40) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19975386 0.83 POLB (0.43) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5777177 0.79 PIN1 (0.42) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL25375693 0.77 SMN1; SMN2 (0.43) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21176216 0.74 KMT2A (0.42) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL6743611 0.73 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL31016233 0.73 KMT2A (0.50) SMN1; SMN2MEN1KMT2AMAPTCHRNB2
SCHEMBL11043760 0.72 MMP8 (0.41) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19419857 0.71 MMP8 (0.53) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6049933 0.71 MMP8 (0.53) PIN1SMN1; SMN2MEN1KMT2ANPC1

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 PIN1 3917/4885SMN1; SMN2 706/4885MEN1 4331/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PIN1 3952/4885SMN1; SMN2 1086/4885MEN1 4361/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PIN1 3917/4885SMN1; SMN2 706/4885MEN1 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.