SCHEMBL18102940

SCHEMBL18102940

O=C1NC(=S)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 5/20 0.66
▸ PTP4A3 O75365 3/20 0.60
▸ MYC P01106 2/20 0.57
▸ MAX P61244 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CISD1 Q9NZ45 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ CRHBP P24387 2/20 0.53
▸ CRHR2 Q13324 2/20 0.53
▸ PLA2G1B P04054 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
SCHEMBL3405860 0.89 PTP4A3 (0.71) NAT1PTP4A3MYCMAXCISD1
SCHEMBL3405858 0.89 PTP4A3 (0.71) NAT1PTP4A3MYCMAXCISD1
SCHEMBL13616173 0.89 PTP4A3 (0.71) NAT1PTP4A3MYCMAXCISD1
SCHEMBL13499579 0.86 PTP4A3 (0.67) NAT1PTP4A3MYCMAXPOLB
SCHEMBL15421391 0.86 POLB (0.74) NAT1PTP4A3MYCMAXKDM4E
SCHEMBL15421394 0.86 POLB (0.74) NAT1PTP4A3MYCMAXKDM4E
SCHEMBL15421393 0.86 POLB (0.74) NAT1PTP4A3MYCMAXKDM4E
SCHEMBL18102957 0.83 PTP4A3 (0.71) NAT1PTP4A3MYCMAXKDM4E
SCHEMBL13499577 0.83 NAT1 (0.64) NAT1PTP4A3MYCMAXPOLB
SCHEMBL3402662 0.81 TDP1 (0.75) KDM4ENSD2POLBGAAMAPT

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 867/4885PTP4A3 4245/4885MYC 39/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885PTP4A3 4245/4885MYC 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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