SCHEMBL18102974

SCHEMBL18102974

O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 7/20 0.71
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PTGDR2 Q9Y5Y4 1/20 0.56
▸ PTPN1 P18031 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CISD1 Q9NZ45 1/20 0.51

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
SCHEMBL18102850 0.86 MGAM (0.63) PTP4A3GSK3BTDP1CISD1
SCHEMBL10090417 0.86 PTP4A3 (0.71) PTP4A3PTPN1GSK3BCISD1
SCHEMBL2065357 0.85 PTP4A3 (0.61) PTP4A3MEN1KMT2APTPN1ALDH1A1
SCHEMBL18102905 0.85 GSK3B (0.75) PTP4A3MEN1KMT2AKDM4EALDH1A1
SCHEMBL12892144 0.85 GSK3B (0.75) PTP4A3MEN1KMT2AKDM4EALDH1A1
SCHEMBL2066428 0.84 PTP4A3 (0.66) PTP4A3MEN1KMT2APTPN1GSK3B
SCHEMBL2066430 0.84 PTP4A3 (0.66) PTP4A3MEN1KMT2APTPN1GSK3B
SCHEMBL10090230 0.84 PTP4A3 (0.71) PTP4A3PTPN1GSK3BCISD1
SCHEMBL2065276 0.84 PTP4A3 (0.71) PTP4A3PTPN1GSK3BCISD1
SCHEMBL2065228 0.83 PTP4A3 (1.00) PTP4A3MEN1KMT2APTPN1CISD1

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 PTP4A3 4245/4885MEN1 846/4885KMT2A 470/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 PTP4A3 4245/4885MEN1 846/4885KMT2A 470/4885

“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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