SCHEMBL20005672

SCHEMBL20005672

C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.72
▸ CTRC Q99895 1/20 0.63
▸ HSD17B3 P37058 1/20 0.61
▸ MYC P01106 1/20 0.60
▸ MAX P61244 1/20 0.60
▸ KMT2A Q03164 3/20 0.58
▸ MITF O75030 1/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PTPN7 P35236 3/20 0.56
▸ PTPN12 Q05209 3/20 0.56
▸ GPR35 Q9HC97 3/20 0.56
▸ PTPN22 Q9Y2R2 3/20 0.56
▸ DDX3X O00571 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CFTR P13569 1/20 0.56

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
SCHEMBL18103053 1.00 MAPK1 (0.72) MAPK1CTRCHSD17B3MYCMAX
SCHEMBL7852521 0.86 MAPK1 (0.76) MAPK1KMT2AMITFMEN1CTDSP1
SCHEMBL4138637 0.84 MAPK1 (0.72) MAPK1KMT2AMITFMEN1CTDSP1
SCHEMBL4138638 0.84 MAPK1 (0.72) MAPK1KMT2AMITFMEN1CTDSP1
SCHEMBL1904246 0.83 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904243 0.83 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904245 0.83 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL12912717 0.83 CFTR (0.66) MAPK1CTRCKMT2AMITFMEN1
SCHEMBL6886476 0.81 MAPK1 (0.75) MAPK1KMT2AMITFMEN1CTDSP1
SCHEMBL6886480 0.81 MAPK1 (0.75) MAPK1KMT2AMITFMEN1CTDSP1

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 MAPK1 2158/4885CTRC 3530/4885HSD17B3 2572/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPK1 2158/4885CTRC 3530/4885HSD17B3 2572/4885

“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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