SCHEMBL12892144

SCHEMBL12892144

O=C(O)COc1ccccc1/C=C1\SC(=S)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.75
▸ NAT1 P18440 4/20 0.65
▸ PTP4A3 O75365 5/20 0.64
▸ MMP2 P08253 1/20 0.63
▸ MMP3 P08254 1/20 0.63
▸ MMP13 P45452 1/20 0.63
▸ MMP14 P50281 1/20 0.63
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ GAA P10253 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PIM1 P11309 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ PLA2G1B P04054 2/20 0.55
▸ ATG4B Q9Y4P1 2/20 0.55
▸ TTR P02766 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PDE4B Q07343 1/20 0.55

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
SCHEMBL18102905 1.00 GSK3B (0.75) GSK3BNAT1PTP4A3MMP2MMP3
SCHEMBL18102860 0.89 GSK3B (0.73) GSK3BNAT1PTP4A3MEN1KMT2A
SCHEMBL18102906 0.88 MEN1 (0.75) GSK3BNAT1MMP2MMP3MMP13
SCHEMBL18102850 0.85 MGAM (0.63) GSK3BNAT1PTP4A3GAAPIM1
SCHEMBL18102974 0.85 PTP4A3 (0.71) GSK3BPTP4A3MEN1KMT2AALDH1A1
SCHEMBL18102903 0.84 PDE4B (0.73) GSK3BNAT1PTP4A3MEN1KMT2A
SCHEMBL9025763 0.84 GSK3B (0.54) GSK3BNAT1PTP4A3MMP2MMP3
SCHEMBL9025766 0.84 GSK3B (0.54) GSK3BNAT1PTP4A3MMP2MMP3
SCHEMBL10090211 0.84 PTP4A3 (0.83) GSK3BNAT1PTP4A3MMP3MMP13
SCHEMBL18102857 0.84 GSK3B (0.77) GSK3BNAT1PTP4A3MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 GSK3B 1070/4885NAT1 867/4885PTP4A3 4245/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 GSK3B 1070/4885NAT1 867/4885PTP4A3 4245/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB GSK3B 2392/4885NAT1 4542/4885PTP4A3 1732/4885

“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.

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