SCHEMBL23322830

SCHEMBL23322830

CC(C)OC(=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ ASAH1 Q13510 1/20 0.46
▸ SQOR Q9Y6N5 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ GRIK5 Q16478 1/20 0.44
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HBB P68871 1/20 0.37

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
SCHEMBL11040533 0.88 LMNA (0.44) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL11159032 0.88 LMNA (0.44) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL25965763 0.85 LMNA (0.42) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL10656853 0.84 LMNA (0.49) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL11098374 0.81 LMNA (0.46) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL11024545 0.79 LMNA (0.61) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL15616807 0.78 LMNA (0.46) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL10656588 0.76 LMNA (0.52) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL11739898 0.76 LMNA (0.49) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3
SCHEMBL10459041 0.75 LMNA (0.56) LMNASMN1; SMN2CYP3A4CYP2D6MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 — — US disclosed
US-20220168426-A1 BIOORTHOGONAL COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-02 — — US disclosed
US-11253600-B2 Bioorthogonal compositions TAMBO, INC. (US) 2022-02-22 — — US disclosed
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-05-06 — — 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 (4 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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK LMNA 4665/4885SMN1; SMN2 4078/4885CYP3A4 3169/4885
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 LMNA 4462/4885SMN1; SMN2 2763/4885CYP3A4 2260/4885
US-20220168426-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 LMNA 4462/4885SMN1; SMN2 2763/4885CYP3A4 2260/4885
US-11253600-B2 Bioorthogonal compositions TIE1, BBOX1, ST14 LMNA 4462/4885SMN1; SMN2 2763/4885CYP3A4 2260/4885

“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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