SCHEMBL21738017

SCHEMBL21738017

CC(=O)N[C@@H]1CCN(c2nnc(Br)s2)C[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.50
OPRK1 P41145 10/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25858332 1.00 GLS (0.50) GLSOPRK1MEN1POLBKMT2A
SCHEMBL21738023 1.00 GLS (0.50) GLSOPRK1MEN1POLBKMT2A
SCHEMBL25858331 1.00 GLS (0.50) GLSOPRK1MEN1POLBKMT2A
SCHEMBL21737953 0.86 GLS (0.46) GLSOPRK1MEN1POLBKMT2A
SCHEMBL21737961 0.84 GLS (0.57) GLSMEN1POLBKMT2ASMPD3
SCHEMBL21737956 0.84 GLS (0.57) GLSMEN1POLBKMT2ASMPD3
SCHEMBL21724985 0.80 GLS (0.52) GLSSMPD3HRH3TSHR
SCHEMBL25859743 0.79 GLS (0.49) GLSMEN1POLBKMT2ASMPD3
SCHEMBL25859744 0.79 GLS (0.49) GLSMEN1POLBKMT2ASMPD3
SCHEMBL21738022 0.75 GLS (0.41) GLSMEN1POLBKMT2ASMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 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 (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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 GLS 2423/4885OPRK1 2533/4885MEN1 2601/4885

“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.