SCHEMBL18102863

SCHEMBL18102863

O=C(O)COc1cccc(Cl)c1/C=C1\SC(=S)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.51
▸ GSK3B P49841 2/20 0.50
▸ PTP4A3 O75365 2/20 0.47
▸ NAT1 P18440 4/20 0.46
▸ CA2 P00918 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP3 P08254 1/20 0.45

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
SCHEMBL18102961 0.82 PIM1 (0.60) PIM1GSK3BPTP4A3NAT1CA2
SCHEMBL18095797 0.82 PIM1 (0.60) PIM1GSK3BPTP4A3NAT1CA2
SCHEMBL18095798 0.82 PIM1 (0.60) PIM1GSK3BPTP4A3NAT1CA2
SCHEMBL18102905 0.81 GSK3B (0.75) PIM1GSK3BPTP4A3NAT1CA2
SCHEMBL12892144 0.81 GSK3B (0.75) PIM1GSK3BPTP4A3NAT1CA2
SCHEMBL14661291 0.80 PIM1 (0.70) PIM1PTP4A3NAT1CA2EPHX1
SCHEMBL13499565 0.80 PIM1 (0.70) PIM1PTP4A3NAT1CA2EPHX1
SCHEMBL14661290 0.80 PIM1 (0.70) PIM1PTP4A3NAT1CA2EPHX1
SCHEMBL18102973 0.80 CISD1 (0.66) PIM1PTP4A3NAT1MEN1ALDH1A1
SCHEMBL18102979 0.80 CISD1 (0.66) PIM1PTP4A3NAT1MEN1ALDH1A1

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 PIM1 2196/4885GSK3B 1070/4885PTP4A3 4245/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 PIM1 2196/4885GSK3B 1070/4885PTP4A3 4245/4885

“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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