SCHEMBL20005777

SCHEMBL20005777

O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCCOc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ SI P14410 1/20 0.68
▸ MGAM2 Q2M2H8 1/20 0.68
▸ GSK3B P49841 4/20 0.65
▸ PTP4A3 O75365 9/20 0.61
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ MEN1 O00255 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NOD2 Q9HC29 1/20 0.55
▸ PIM1 P11309 1/20 0.54
▸ ADAMTS5 Q9UNA0 2/20 0.53
▸ MMP13 P45452 2/20 0.52
▸ MMP3 P08254 1/20 0.52

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
SCHEMBL18102936 1.00 MGAM (0.68) MGAMGAASIMGAM2GSK3B
SCHEMBL20005836 0.89 GSK3B (0.72) MGAMGAASIMGAM2GSK3B
SCHEMBL18102852 0.89 GSK3B (0.72) MGAMGAASIMGAM2GSK3B
SCHEMBL2065559 0.89 MEN1 (0.61) MGAMGAASIMGAM2GSK3B
SCHEMBL10090298 0.89 MEN1 (0.61) MGAMGAASIMGAM2GSK3B
SCHEMBL18102857 0.87 GSK3B (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL18102848 0.87 MGAM (0.66) MGAMGAASIMGAM2GSK3B
SCHEMBL2066176 0.87 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL2066177 0.87 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM
SCHEMBL10090290 0.87 PTP4A3 (0.77) GSK3BPTP4A3MEN1POLBBLM

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 2 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

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 MGAM 4574/4885GAA 3491/4885SI 3526/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MGAM 4574/4885GAA 3491/4885SI 3526/4885

“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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