SCHEMBL30346016

SCHEMBL30346016

CC1C[C@H](N[S@@+]([O-])C(C)(C)C)c2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
LMNA P02545 3/20 0.41
BRD4 O60885 3/20 0.41
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
BCHE P06276 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL31139408 1.00 PTGDR2 (0.44) PTGDR2LMNABRD4GFERNPSR1
SCHEMBL26091923 0.86 PTGDR2 (0.50) PTGDR2LMNABRD4GFERNPSR1
SCHEMBL26091929 0.86 PTGDR2 (0.50) PTGDR2LMNABRD4GFERNPSR1
SCHEMBL6650008 0.79 BCHE (0.43) PTGDR2LMNASMN1; SMN2BCHESCN9A
SCHEMBL30346236 0.78 KDM1A (0.44) PTGDR2LMNASMN1; SMN2BCHESCN9A
SCHEMBL30681428 0.71 BCHE (0.46) BCHESCN9A
SCHEMBL28480109 0.70 PTGDR2 (0.50) PTGDR2LMNABRD4GFERNPSR1
SCHEMBL15746086 0.69 NOTUM (0.65) LMNASMN1; SMN2
SCHEMBL29571656 0.69 NOTUM (0.65) LMNASMN1; SMN2
SCHEMBL13108813 0.69 NOTUM (0.65) LMNASMN1; SMN2

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-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 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-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 PTGDR2 1783/4885LMNA 3596/4885BRD4 1278/4885

“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.