SCHEMBL20006094

SCHEMBL20006094

CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DUSP22 Q9NRW4 6/20 0.77
▸ DUSP26 Q9BV47 2/20 0.77
▸ CFTR P13569 3/20 0.63
▸ BCL2 P10415 3/20 0.61
▸ IKBKB O14920 2/20 0.59
▸ PTPN7 P35236 1/20 0.59
▸ PTPN12 Q05209 1/20 0.59
▸ PTPN22 Q9Y2R2 1/20 0.59
▸ AMY1A P0DUB6 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NLRP3 Q96P20 1/20 0.58
▸ BCL2L1 Q07817 1/20 0.57
▸ MCL1 Q07820 1/20 0.57

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
SCHEMBL18102926 1.00 DUSP22 (0.77) DUSP22DUSP26CFTRBCL2IKBKB
SCHEMBL18103078 0.92 DUSP22 (0.80) DUSP22DUSP26CFTRBCL2PTPN7
SCHEMBL20006090 0.92 DUSP22 (0.80) DUSP22DUSP26CFTRBCL2PTPN7
SCHEMBL24217824 0.84 DUSP22 (1.00) DUSP22DUSP26CFTRAMY1AMEN1
SCHEMBL24217784 0.82 DUSP22 (1.00) DUSP22DUSP26CFTRAMY1AMEN1
SCHEMBL27921909 0.82 DUSP22 (1.00) DUSP22DUSP26CFTRAMY1AMEN1
SCHEMBL18103087 0.81 DUSP26 (0.74) DUSP22DUSP26CFTRPTPN7PTPN12
SCHEMBL17762590 0.79 DUSP22 (1.00) DUSP22DUSP26CFTRBCL2AMY1A
SCHEMBL1877096 0.78 CFTR (1.00) DUSP22DUSP26CFTRAMY1AMEN1
SCHEMBL1877094 0.78 CFTR (1.00) DUSP22DUSP26CFTRAMY1AMEN1

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 DUSP22 1957/4885DUSP26 2207/4885CFTR 2730/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 DUSP22 1957/4885DUSP26 2207/4885CFTR 2730/4885

“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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