SCHEMBL19999075

SCHEMBL19999075

COc1cccc(/C=C2\SC(=S)N(CC(C)=O)C2=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.59
▸ TCF7L2 Q9NQB0 1/20 0.59
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ MAP3K5 Q99683 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ PSMD14 O00487 1/20 0.51

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
SCHEMBL18095861 0.91 CTNNB1 (0.65) CTNNB1TCF7L2MEN1KMT2APOLB
SCHEMBL18102989 0.91 CTNNB1 (0.65) CTNNB1TCF7L2MEN1KMT2APOLB
SCHEMBL18095863 0.91 CTNNB1 (0.65) CTNNB1TCF7L2MEN1KMT2APOLB
SCHEMBL18095816 0.90 CTNNB1 (0.58) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL18095817 0.90 CTNNB1 (0.58) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL18103066 0.90 CTNNB1 (0.58) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL18095807 0.89 MEN1 (0.59) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL18102969 0.89 CTNNB1 (0.56) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL19991290 0.89 CTNNB1 (0.56) CTNNB1TCF7L2MEN1KMT2ALMNA
SCHEMBL18103068 0.89 CTNNB1 (0.56) CTNNB1TCF7L2MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 CTNNB1 551/4885TCF7L2 15/4885MEN1 846/4885

“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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