SCHEMBL18103029

SCHEMBL18103029

O=C1NC(=S)S/C1=C/c1cccc(F)c1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 6/20 0.66
▸ PIM1 P11309 3/20 0.59
▸ MYC P01106 1/20 0.58
▸ MAX P61244 1/20 0.58
▸ CRHBP P24387 2/20 0.56
▸ CRHR2 Q13324 2/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ ATG4B Q9Y4P1 1/20 0.56
▸ PTP4A3 O75365 2/20 0.56
▸ PDE4B Q07343 1/20 0.54
▸ IGF1R P08069 1/20 0.54
▸ GSK3B P49841 1/20 0.53

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
SCHEMBL18095820 1.00 NAT1 (0.66) NAT1PIM1MYCMAXCRHBP
SCHEMBL18095819 1.00 NAT1 (0.66) NAT1PIM1MYCMAXCRHBP
SCHEMBL18102942 0.86 NAT1 (0.78) NAT1PIM1MYCMAXCRHBP
SCHEMBL13499578 0.86 PIM1 (0.62) NAT1PIM1MYCMAXPTP4A3
SCHEMBL18102944 0.83 PIM1 (0.74) NAT1PIM1MYCMAXCRHBP
SCHEMBL18103052 0.83 PIM1 (0.74) NAT1PIM1MYCMAXCRHBP
SCHEMBL18102951 0.83 NAT1 (0.74) NAT1PIM1MYCMAXPTP4A3
SCHEMBL13499576 0.81 PTP4A3 (0.72) NAT1PIM1MYCMAXPTP4A3
SCHEMBL18102933 0.81 NAT1 (0.62) NAT1PIM1MYCMAXPTP4A3
SCHEMBL18102941 0.81 NAT1 (0.61) NAT1PIM1MYCMAXCRHBP

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 NAT1 867/4885PIM1 2196/4885MYC 39/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885PIM1 2196/4885MYC 39/4885

“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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