SCHEMBL18102903

SCHEMBL18102903

COc1cccc(/C=C2\SC(=S)NC2=O)c1OCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.73
▸ NAT1 P18440 3/20 0.64
▸ GSK3A P49840 1/20 0.60
▸ KMT2A Q03164 4/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ GSK3B P49841 1/20 0.57
▸ CISD1 Q9NZ45 2/20 0.52
▸ MAOB P27338 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CTNNB1 P35222 1/20 0.51
▸ TCF7L2 Q9NQB0 1/20 0.51
▸ PTP4A3 O75365 2/20 0.49
▸ CTSD P07339 1/20 0.48

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
SCHEMBL8310322 0.85 PDE4B (1.00) PDE4BNAT1GSK3AKMT2AALDH1A1
SCHEMBL8310325 0.85 PDE4B (1.00) PDE4BNAT1GSK3AKMT2AALDH1A1
SCHEMBL18095798 0.85 PIM1 (0.60) PDE4BNAT1KMT2AGSK3BCA2
SCHEMBL18095797 0.85 PIM1 (0.60) PDE4BNAT1KMT2AGSK3BCA2
SCHEMBL18102961 0.85 PIM1 (0.60) PDE4BNAT1KMT2AGSK3BCA2
SCHEMBL12892144 0.84 GSK3B (0.75) PDE4BNAT1KMT2ATDP1ALDH1A1
SCHEMBL18102905 0.84 GSK3B (0.75) PDE4BNAT1KMT2ATDP1ALDH1A1
SCHEMBL19999080 0.82 PDE4B (0.72) PDE4BNAT1GSK3AKMT2ATDP1
SCHEMBL11738412 0.82 NAT1 (0.73) PDE4BNAT1GSK3AKMT2AALDH1A1
SCHEMBL11738418 0.82 NAT1 (0.73) PDE4BNAT1GSK3AKMT2AALDH1A1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PDE4B 3826/4885NAT1 867/4885GSK3A 1323/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 PDE4B 3826/4885NAT1 867/4885GSK3A 1323/4885

“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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